BMRBj - BMREntryMaster

Found 1 Document (0.621 seconds)

BMRB: 27078

6F7E

Chemical shift assignments for the apo-form of the catalytic domain, the linker region, and the carbohydrate binding domain of the cellulose-active lytic polysaccharide monooxygenase ScLPMO10C

Authors

Courtade, G., Forsberg, Z., Vaaje-Kolstad, G., Eijsink, V.G.H., Aachmann, F.L.

Assembly

ScLPMO10C

Entity

1. N-ScLPMO10C (polymer, Thiol state: all disulfide bound), 200 monomers, 21382.12 Da Detail

2. ScCBM2 (polymer, Thiol state: all disulfide bound), 112 monomers, 11682.57 Da Detail

MHTGSCMAVY SVENSWSGGF QGSVEVMNHG TEPLNGWAVQ WQPGGGTTLG GVWNGSLTSG SDGTVTVRNV DHNRVVPPDG SVTFGFTATS TGNDFPVDSI GCVAPAHHHH HH

3. ScLPMO10C (polymer, Thiol state: all disulfide bound), 330 monomers, 34567.23 Da Detail

HGVAMMPGSR TYLCQLDAKT GTGALDPTNP ACQAALDQSG ATALYNWFAV LDSNAGGRGA GYVPDGTLCS AGDRSPYDFS AYNAARSDWP RTHLTSGATI PVEYSNWAAH PGDFRVYLTK PGWSPTSELG WDDLELIQTV TNPPQQGSPG TDGGHYYWDL ALPSGRSGDA LIFMQWVRSD SQENFFSCSD VVFDGGNGEV TGIRGSGSTP DPDPTPTPTD PTTPPTHTGS CMAVYSVENS WSGGFQGSVE VMNHGTEPLN GWAVQWQPGG GTTLGGVWNG SLTSGSDGTV TVRNVDHNRV VPPDGSVTFG FTATSTGNDF PVDSIGCVAP

Total weight

67631.92 Da

Max. entity weight

34567.23 Da

Entity Connection

disulfide 6 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS14:SG	1:CYS32:SG
2	disulfide	sing	1:CYS69:SG	1:CYS188:SG
3	disulfide	sing	2:CYS6:SG	2:CYS102:SG
4	disulfide	sing	3:CYS14:SG	3:CYS32:SG
5	disulfide	sing	3:CYS69:SG	3:CYS188:SG
6	disulfide	sing	3:CYS231:SG	3:CYS327:SG

Source organism

Streptomyces coelicolor

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 41.7 %, Completeness: 31.3 %, Completeness (bb): 38.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	31.3 % (2132 of 6809)	29.3 % (1014 of 3463)	32.7 % (877 of 2678)	36.1 % (241 of 668)
Backbone	38.3 % (1438 of 3756)	36.8 % (487 of 1323)	38.9 % (715 of 1839)	39.7 % (236 of 594)
Sidechain	25.2 % (908 of 3608)	24.7 % (528 of 2140)	26.9 % (375 of 1394)	6.8 % (5 of 74)
Aromatic	7.2 % (52 of 724)	8.6 % (31 of 362)	5.9 % (20 of 340)	4.5 % (1 of 22)
Methyl	34.3 % (201 of 586)	33.8 % (99 of 293)	34.8 % (102 of 293)

1. N-ScLPMO10C

2. ScCBM2

MHTGSCMAVY SVENSWSGGF QGSVEVMNHG TEPLNGWAVQ WQPGGGTTLG GVWNGSLTSG SDGTVTVRNV DHNRVVPPDG SVTFGFTATS TGNDFPVDSI GCVAPAHHHH HH

3. ScLPMO10C

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	potassium phosphate	natural abundance	25 mM
2	sodium chloride	natural abundance	25 mM
3	ScCBM2	[U-98% 15N]	0.5 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
4	potassium phosphate	natural abundance	25 mM
5	sodium chloride	natural abundance	10 mM
6	N-ScLPMO10C	[U-98% 15N]	0.5 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
7	potassium phosphate	natural abundance	25 mM
8	sodium chloride	natural abundance	10 mM
9	ScLPMO10C	[U-98% 15N]	0.2 mM

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
10	potassium phosphate	natural abundance	25 mM
11	sodium chloride	natural abundance	25 mM
12	ScCBM2	[U-98% 13C; U-98% 15N]	0.5 mM

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
13	potassium phosphate	natural abundance	25 mM
14	sodium chloride	natural abundance	10 mM
15	N-ScLPMO10C	[U-98% 13C; U-98% 15N]	0.5 mM

Sample #6

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
16	potassium phosphate	natural abundance	25 mM
17	sodium chloride	natural abundance	10 mM
18	ScLPMO10C	[U-98% 13C; U-98% 15N]	0.3 mM

Sample #7

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
19	potassium phosphate	natural abundance	25 mM
20	sodium chloride	natural abundance	25 mM
21	ScCBM2	[U-98% 13C; U-98% 15N]	0.5 mM

Chem. Shift Complete2

Sequence coverage: 31.6 %, Completeness: 26.8 %, Completeness (bb): 32.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	26.8 % (3647 of 13618)	25.6 % (1771 of 6926)	27.0 % (1445 of 5356)	32.3 % (431 of 1336)
Backbone	32.5 % (2438 of 7512)	32.4 % (857 of 2646)	31.8 % (1168 of 3678)	34.8 % (413 of 1188)
Sidechain	21.4 % (1544 of 7216)	21.3 % (913 of 4280)	22.0 % (614 of 2788)	11.5 % (17 of 148)
Aromatic	8.8 % (127 of 1448)	10.6 % (77 of 724)	7.2 % (49 of 680)	2.3 % (1 of 44)
Methyl	27.8 % (326 of 1172)	28.2 % (165 of 586)	27.5 % (161 of 586)

1. N-ScLPMO10C

2. ScCBM2

MHTGSCMAVY SVENSWSGGF QGSVEVMNHG TEPLNGWAVQ WQPGGGTTLG GVWNGSLTSG SDGTVTVRNV DHNRVVPPDG SVTFGFTATS TGNDFPVDSI GCVAPAHHHH HH

3. ScLPMO10C

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	potassium phosphate	natural abundance	25 mM
2	sodium chloride	natural abundance	25 mM
3	ScCBM2	[U-98% 15N]	0.5 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
4	potassium phosphate	natural abundance	25 mM
5	sodium chloride	natural abundance	10 mM
6	N-ScLPMO10C	[U-98% 15N]	0.5 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
7	potassium phosphate	natural abundance	25 mM
8	sodium chloride	natural abundance	10 mM
9	ScLPMO10C	[U-98% 15N]	0.2 mM

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
10	potassium phosphate	natural abundance	25 mM
11	sodium chloride	natural abundance	25 mM
12	ScCBM2	[U-98% 13C; U-98% 15N]	0.5 mM

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
13	potassium phosphate	natural abundance	25 mM
14	sodium chloride	natural abundance	10 mM
15	N-ScLPMO10C	[U-98% 13C; U-98% 15N]	0.5 mM

Sample #6

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
16	potassium phosphate	natural abundance	25 mM
17	sodium chloride	natural abundance	10 mM
18	ScLPMO10C	[U-98% 13C; U-98% 15N]	0.3 mM

Sample #7

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
19	potassium phosphate	natural abundance	25 mM
20	sodium chloride	natural abundance	25 mM
21	ScCBM2	[U-98% 13C; U-98% 15N]	0.5 mM

Chem. Shift Complete3

Sequence coverage: 47.5 %, Completeness: 25.7 %, Completeness (bb): 33.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	25.7 % (5240 of 20427)	22.1 % (2295 of 10389)	28.2 % (2264 of 8034)	34.0 % (681 of 2004)
Backbone	33.8 % (3804 of 11268)	30.3 % (1203 of 3969)	35.2 % (1941 of 5517)	37.0 % (660 of 1782)
Sidechain	18.3 % (1986 of 10824)	17.0 % (1091 of 6420)	20.9 % (875 of 4182)	9.0 % (20 of 222)
Aromatic	6.1 % (133 of 2172)	7.5 % (81 of 1086)	5.0 % (51 of 1020)	1.5 % (1 of 66)
Methyl	23.7 % (416 of 1758)	23.5 % (207 of 879)	23.8 % (209 of 879)

1. N-ScLPMO10C

2. ScCBM2

MHTGSCMAVY SVENSWSGGF QGSVEVMNHG TEPLNGWAVQ WQPGGGTTLG GVWNGSLTSG SDGTVTVRNV DHNRVVPPDG SVTFGFTATS TGNDFPVDSI GCVAPAHHHH HH

3. ScLPMO10C

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	potassium phosphate	natural abundance	25 mM
2	sodium chloride	natural abundance	25 mM
3	ScCBM2	[U-98% 15N]	0.5 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
4	potassium phosphate	natural abundance	25 mM
5	sodium chloride	natural abundance	10 mM
6	N-ScLPMO10C	[U-98% 15N]	0.5 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
7	potassium phosphate	natural abundance	25 mM
8	sodium chloride	natural abundance	10 mM
9	ScLPMO10C	[U-98% 15N]	0.2 mM

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
10	potassium phosphate	natural abundance	25 mM
11	sodium chloride	natural abundance	25 mM
12	ScCBM2	[U-98% 13C; U-98% 15N]	0.5 mM

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
13	potassium phosphate	natural abundance	25 mM
14	sodium chloride	natural abundance	10 mM
15	N-ScLPMO10C	[U-98% 13C; U-98% 15N]	0.5 mM

Sample #6

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
16	potassium phosphate	natural abundance	25 mM
17	sodium chloride	natural abundance	10 mM
18	ScLPMO10C	[U-98% 13C; U-98% 15N]	0.3 mM

Sample #7

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
19	potassium phosphate	natural abundance	25 mM
20	sodium chloride	natural abundance	25 mM
21	ScCBM2	[U-98% 13C; U-98% 15N]	0.5 mM

Release date

2017-04-18

Citation

Chemical shift assignments for the apo-form of the catalytic domain, the linker region, and the carbohydrate-binding domain of the cellulose-active lytic polysaccharide monooxygenase ScLPMO10C
Courtade, G., Forsberg, Z., Vaaje-Kolstad, G., Eijsink, V.G.H., Aachmann, F.L.
Biomol. NMR Assign. (2017), 11, 257-264, PubMed 28822070 , DOI 10.1007/s12104-017-9759-2 , Abstract

Related entities 1. N-ScLPMO10C, : 6 entities Detail

Related entities 2. ScCBM2, : 9 entities Detail

Experiments performed 31 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	potassium phosphate	natural abundance	25 mM
2	sodium chloride	natural abundance	25 mM
3	ScCBM2	[U-98% 15N]	0.5 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
10	potassium phosphate	natural abundance	25 mM
11	sodium chloride	natural abundance	25 mM
12	ScCBM2	[U-98% 13C; U-98% 15N]	0.5 mM

3 2D 1H-13C HSQC aromatic

Instrument

Bruker Ascend - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
19	potassium phosphate	natural abundance	25 mM
20	sodium chloride	natural abundance	25 mM
21	ScCBM2	[U-98% 13C; U-98% 15N]	0.5 mM

4 3D HNHA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	potassium phosphate	natural abundance	25 mM
2	sodium chloride	natural abundance	25 mM
3	ScCBM2	[U-98% 15N]	0.5 mM

5 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
10	potassium phosphate	natural abundance	25 mM
11	sodium chloride	natural abundance	25 mM
12	ScCBM2	[U-98% 13C; U-98% 15N]	0.5 mM

6 3D HN(CA)CO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
10	potassium phosphate	natural abundance	25 mM
11	sodium chloride	natural abundance	25 mM
12	ScCBM2	[U-98% 13C; U-98% 15N]	0.5 mM

7 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
10	potassium phosphate	natural abundance	25 mM
11	sodium chloride	natural abundance	25 mM
12	ScCBM2	[U-98% 13C; U-98% 15N]	0.5 mM

8 3D HN(CO)CACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
10	potassium phosphate	natural abundance	25 mM
11	sodium chloride	natural abundance	25 mM
12	ScCBM2	[U-98% 13C; U-98% 15N]	0.5 mM

9 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
10	potassium phosphate	natural abundance	25 mM
11	sodium chloride	natural abundance	25 mM
12	ScCBM2	[U-98% 13C; U-98% 15N]	0.5 mM

10 2D CACO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
19	potassium phosphate	natural abundance	25 mM
20	sodium chloride	natural abundance	25 mM
21	ScCBM2	[U-98% 13C; U-98% 15N]	0.5 mM

11 2D CON

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
19	potassium phosphate	natural abundance	25 mM
20	sodium chloride	natural abundance	25 mM
21	ScCBM2	[U-98% 13C; U-98% 15N]	0.5 mM

12 3D 1H-15N NOESY

Instrument

Bruker Ascend - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	potassium phosphate	natural abundance	25 mM
2	sodium chloride	natural abundance	25 mM
3	ScCBM2	[U-98% 15N]	0.5 mM

13 3D 1H-13C NOESY aliphatic

Instrument

Bruker Ascend - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
19	potassium phosphate	natural abundance	25 mM
20	sodium chloride	natural abundance	25 mM
21	ScCBM2	[U-98% 13C; U-98% 15N]	0.5 mM

14 3D 1H-13C NOESY aromatic

Instrument

Bruker Ascend - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
19	potassium phosphate	natural abundance	25 mM
20	sodium chloride	natural abundance	25 mM
21	ScCBM2	[U-98% 13C; U-98% 15N]	0.5 mM

15 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
4	potassium phosphate	natural abundance	25 mM
5	sodium chloride	natural abundance	10 mM
6	N-ScLPMO10C	[U-98% 15N]	0.5 mM

16 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
13	potassium phosphate	natural abundance	25 mM
14	sodium chloride	natural abundance	10 mM
15	N-ScLPMO10C	[U-98% 13C; U-98% 15N]	0.5 mM

17 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
13	potassium phosphate	natural abundance	25 mM
14	sodium chloride	natural abundance	10 mM
15	N-ScLPMO10C	[U-98% 13C; U-98% 15N]	0.5 mM

18 3D HN(CO)CA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
13	potassium phosphate	natural abundance	25 mM
14	sodium chloride	natural abundance	10 mM
15	N-ScLPMO10C	[U-98% 13C; U-98% 15N]	0.5 mM

19 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
13	potassium phosphate	natural abundance	25 mM
14	sodium chloride	natural abundance	10 mM
15	N-ScLPMO10C	[U-98% 13C; U-98% 15N]	0.5 mM

20 3D HN(CA)CO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
13	potassium phosphate	natural abundance	25 mM
14	sodium chloride	natural abundance	10 mM
15	N-ScLPMO10C	[U-98% 13C; U-98% 15N]	0.5 mM

21 3D CBCANH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
13	potassium phosphate	natural abundance	25 mM
14	sodium chloride	natural abundance	10 mM
15	N-ScLPMO10C	[U-98% 13C; U-98% 15N]	0.5 mM

22 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
13	potassium phosphate	natural abundance	25 mM
14	sodium chloride	natural abundance	10 mM
15	N-ScLPMO10C	[U-98% 13C; U-98% 15N]	0.5 mM

23 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
13	potassium phosphate	natural abundance	25 mM
14	sodium chloride	natural abundance	10 mM
15	N-ScLPMO10C	[U-98% 13C; U-98% 15N]	0.5 mM

24 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
13	potassium phosphate	natural abundance	25 mM
14	sodium chloride	natural abundance	10 mM
15	N-ScLPMO10C	[U-98% 13C; U-98% 15N]	0.5 mM

25 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
13	potassium phosphate	natural abundance	25 mM
14	sodium chloride	natural abundance	10 mM
15	N-ScLPMO10C	[U-98% 13C; U-98% 15N]	0.5 mM

26 2D 1H-15N HSQC

Instrument

Bruker Ascend - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
7	potassium phosphate	natural abundance	25 mM
8	sodium chloride	natural abundance	10 mM
9	ScLPMO10C	[U-98% 15N]	0.2 mM

27 3D HNCO

Instrument

Bruker Ascend - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
16	potassium phosphate	natural abundance	25 mM
17	sodium chloride	natural abundance	10 mM
18	ScLPMO10C	[U-98% 13C; U-98% 15N]	0.3 mM

28 3D HN(CA)CO

Instrument

Bruker Ascend - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
16	potassium phosphate	natural abundance	25 mM
17	sodium chloride	natural abundance	10 mM
18	ScLPMO10C	[U-98% 13C; U-98% 15N]	0.3 mM

29 3D HNCA

Instrument

Bruker Ascend - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
16	potassium phosphate	natural abundance	25 mM
17	sodium chloride	natural abundance	10 mM
18	ScLPMO10C	[U-98% 13C; U-98% 15N]	0.3 mM

30 3D CBCA(CO)NH

Instrument

Bruker Ascend - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
16	potassium phosphate	natural abundance	25 mM
17	sodium chloride	natural abundance	10 mM
18	ScLPMO10C	[U-98% 13C; U-98% 15N]	0.3 mM

31 3D CBCANH

Instrument

Bruker Ascend - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
16	potassium phosphate	natural abundance	25 mM
17	sodium chloride	natural abundance	10 mM
18	ScLPMO10C	[U-98% 13C; U-98% 15N]	0.3 mM

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_27078_6f7e.nef
Input source #2: Coordindates	6f7e.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Error

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
A:5:CYS:SG	A:101:CYS:SG	unknown	oxidized, CA 55.85, CB 43.95 ppm	2.033

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
A	181	.	Not matched with CCD	None
A	143	.	Not matched with CCD	None
A	185	.	Not matched with CCD	None
A	183	.	Not matched with CCD	None
A	184	.	Not matched with CCD	None
A	106	.	Not matched with CCD	None
A	182	.	Not matched with CCD	None
A	177	.	Not matched with CCD	None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

----180------170-----160190----------------140--------------------120----------130-------------10---
FH.LDSDARPWRQVDALRVG.STLWFDCFYS.G.ITPADQPPGITVTQLGDDG..S.YTWSALSMFLPKNE.WDQSGPSDWGSLGYVHTGSCMAVYSVEN
                                                                                       |||||||||||||
.......................................................................................HTGSCMAVYSVEN
-----------------------------------------------------------------------------------------------10---

-----20--------30--------40--------50--------60--------70--------80--------90-------100--11-----
SWSGGFQGSVEVMNHGTEPLNGWAVQWQPGGGTTLGGVWNGSLTSGSDGTVTVRNVDHNRVVPPDGSVTFGFTATSTGNDFPVDSIGCVAPHEGGG
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||     
SWSGGFQGSVEVMNHGTEPLNGWAVQWQPGGGTTLGGVWNGSLTSGSDGTVTVRNVDHNRVVPPDGSVTFGFTATSTGNDFPVDSIGCVAP     
-----20--------30--------40--------50--------60--------70--------80--------90-------100----

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	104	92	0	100.0

Content subtype: combined_27078_6f7e.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	Warning	1		No information
1	Assigned chemical shifts	assigned_chem_shift_list_cels2	Error	1493		No information
2	Assigned chemical shifts	assigned_chem_shift_list_cbm2	Warning	850		52.0 (chain: A, length: 196)
3	Assigned chemical shifts	assigned_chem_shift_list_ScLPMO10C	Warning	361		40.8 (chain: A, length: 196)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	758 (1)	noe	51.5 (chain: A, length: 196)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	146 (146)	.	48.5 (chain: A, length: 196)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_cels2
- Status: Error
- Total number of assignments
  - ¹H chemical shifts: 706
  - ¹³C chemical shifts: 622
  - ¹⁵N chemical shifts: 165
- Histogram of normalized assigned chemical shifts
Saveframe: assigned_chem_shift_list_cbm2
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 196, Sequence coverage: 52.0%
- Total number of assignments
  - ¹H chemical shifts: 427
  - ¹³C chemical shifts: 315
  - ¹⁵N chemical shifts: 108
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A
Saveframe: assigned_chem_shift_list_ScLPMO10C
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 196, Sequence coverage: 40.8%
- Total number of assignments
  - ¹³C chemical shifts: 209
  - ¹H chemical shifts: 76
  - ¹⁵N chemical shifts: 76
- Completeness of assignments
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Covalent bonds

Saveframe: assembly
- Status: Warning

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 196, Sequence coverage: 51.5%
- Total number of restraints: 757
- Weight of restraints: 1.0 (757)
- Potential type of restraints: square-well-parabolic (757)
- Range of distance target values: 1.25, 3.35 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 196, Sequence coverage: 48.5%
- Total number of restraints: 146
- Total number of restraints per polymer type: 146
- Weight of restraints: 1.0 (146)
- Potential type of restraints: square-well-parabolic (146)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue

Keywords AA10, CBM2, LPMO, cellulose, linker

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1022	427	41.8
¹³C chemical shifts	792	315	39.8
¹⁵N chemical shifts	205	107	52.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	393	212	53.9
¹³C chemical shifts	376	192	51.1
¹⁵N chemical shifts	176	97	55.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	629	215	34.2
¹³C chemical shifts	416	123	29.6
¹⁵N chemical shifts	29	10	34.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	120	16	13.3
¹³C chemical shifts	111	12	10.8
¹⁵N chemical shifts	9	0	0.0

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.621 seconds)

BMRB: 27078

Sample #1

Sample #2

Sample #3

Sample #4

Sample #5

Sample #6

Sample #7

Sample #1

Sample #2

Sample #3

Sample #4

Sample #5

Sample #6

Sample #7

Sample #1

Sample #2

Sample #3

Sample #4

Sample #5

Sample #6

Sample #7

Related entities 1. N-ScLPMO10C, : 6 entities Detail

Related entities 2. ScCBM2, : 9 entities Detail

Experiments performed 31 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument