BMRBj - BMREntryMaster

Found 1 Document (1.139 seconds)

BMRB: 16737

2KXI

1H,13C and 15N chemical shift assignment for NMB1343 apoprotein

Authors

Koehler, C., Carlier, L., Veggi, D., Soriani, M., Pizza, M., Boelens, R., Bonvin, A.M.J.J.

Assembly

NMB1343

Entity

1. NMB1343 (polymer, Thiol state: free and disulfide bound), 153 monomers, 17404.15 Da Detail

MGNFLYRGIS CQQDEQNNGQ LKPKGNKAEV AIRYDGKFKY DGKATHGPSV KNAVYAHQIE TGLYDGCYIS TTTDKEIAKK FATSSGIENG YIYVLNRDLF GQYSIFEYEV EHPENPNEKE VTIRAEDCGC IPEEVIIAKE LIEINLEHHH HHH

Formula weight

17404.15 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS67:SG	1:CYS128:SG

Source organism

Neisseria meningitidis

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation

Chem. Shift Complete

Sequence coverage: 98.0 %, Completeness: 90.2 %, Completeness (bb): 95.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.2 % (1612 of 1787)	92.3 % (859 of 931)	86.0 % (595 of 692)	96.3 % (158 of 164)
Backbone	95.2 % (864 of 908)	94.3 % (296 of 314)	95.3 % (425 of 446)	96.6 % (143 of 148)
Sidechain	86.6 % (882 of 1019)	91.2 % (563 of 617)	78.8 % (304 of 386)	93.8 % (15 of 16)
Aromatic	72.3 % (120 of 166)	71.1 % (59 of 83)	73.5 % (61 of 83)
Methyl	95.8 % (138 of 144)	100.0 % (72 of 72)	91.7 % (66 of 72)

1. NMB1343

MGNFLYRGIS CQQDEQNNGQ LKPKGNKAEV AIRYDGKFKY DGKATHGPSV KNAVYAHQIE TGLYDGCYIS TTTDKEIAKK FATSSGIENG YIYVLNRDLF GQYSIFEYEV EHPENPNEKE VTIRAEDCGC IPEEVIIAKE LIEINLEHHH HHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	NMB1343	[U-100% 15N]	0.3 mM
2	sodium chloride	natural abundance	75 mM
3	sodium phosphate	natural abundance	25 mM
4	sodium azide	natural abundance	0.01 %
5	TSP	natural abundance	0.5 mM
6	DTT	natural abundance	1 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
9	NMB1343	[U-100% 13C; U-100% 15N]	0.6 mM
10	sodium chloride	natural abundance	75 mM
11	sodium phosphate	natural abundance	25 mM
12	sodium azide	natural abundance	0.01 %
13	TSP	natural abundance	0.5 mM
14	DTT	natural abundance	1 mM
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
17	NMB1343	[U-100% 13C; U-100% 15N]	0.8 mM
18	sodium chloride	natural abundance	75 mM
19	sodium phosphate	natural abundance	25 mM
20	sodium azide	natural abundance	0.01 %
21	TSP	natural abundance	0.5 mM
22	DTT	natural abundance	1 mM
23	D2O	natural abundance	100 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.22 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.22 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.47 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KXI, Strand ID: A Detail

Heteronucl. T₁

107 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 300 K, pH 7.3 Detail

Heteronucl. T₂

107 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 300 K, pH 7.3 Detail

Heteronucl. NOE

103 NOE values in 1 lists
Value type relative intensities, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 300 K, pH 7.3 Detail

Heteronucl. T₁/T₂

107 T₁/T₂ values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 300 K, pH 7.3 Detail

Release date

2011-05-19

Citation

Structural and biochemical characterization of NarE, an iron-containing ADP-ribosyltransferase from Neisseria meningitidis
Koehler, C., Carlier, L., Veggi, D., Balducci, E., Di Marcello, F., Ferrer-Navarro, M., Pizza, M., Daura, X., Soriani, M., Boelens, R., Bonvin, A.
J. Biol. Chem. (2011), 286, 14842-14851, PubMed 21367854 , DOI 10.1074/jbc.M110.193623 , Abstract

Related entities 1. NMB1343, : 1 : 1 entities Detail

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	NMB1343	[U-100% 15N]	0.3 mM
2	sodium chloride	natural abundance	75 mM
3	sodium phosphate	natural abundance	25 mM
4	sodium azide	natural abundance	0.01 %
5	TSP	natural abundance	0.5 mM
6	DTT	natural abundance	1 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
17	NMB1343	[U-100% 13C; U-100% 15N]	0.8 mM
18	sodium chloride	natural abundance	75 mM
19	sodium phosphate	natural abundance	25 mM
20	sodium azide	natural abundance	0.01 %
21	TSP	natural abundance	0.5 mM
22	DTT	natural abundance	1 mM
23	D2O	natural abundance	100 %

3 3D CBCA(CO)NH

Instrument

Oxford Avance - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
9	NMB1343	[U-100% 13C; U-100% 15N]	0.6 mM
10	sodium chloride	natural abundance	75 mM
11	sodium phosphate	natural abundance	25 mM
12	sodium azide	natural abundance	0.01 %
13	TSP	natural abundance	0.5 mM
14	DTT	natural abundance	1 mM
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

4 3D HNCACB

Instrument

Oxford Avance - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
9	NMB1343	[U-100% 13C; U-100% 15N]	0.6 mM
10	sodium chloride	natural abundance	75 mM
11	sodium phosphate	natural abundance	25 mM
12	sodium azide	natural abundance	0.01 %
13	TSP	natural abundance	0.5 mM
14	DTT	natural abundance	1 mM
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

5 3D HNCO

Instrument

Oxford Avance - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
9	NMB1343	[U-100% 13C; U-100% 15N]	0.6 mM
10	sodium chloride	natural abundance	75 mM
11	sodium phosphate	natural abundance	25 mM
12	sodium azide	natural abundance	0.01 %
13	TSP	natural abundance	0.5 mM
14	DTT	natural abundance	1 mM
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

6 3D HN(CA)CO

Instrument

Oxford Avance - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
9	NMB1343	[U-100% 13C; U-100% 15N]	0.6 mM
10	sodium chloride	natural abundance	75 mM
11	sodium phosphate	natural abundance	25 mM
12	sodium azide	natural abundance	0.01 %
13	TSP	natural abundance	0.5 mM
14	DTT	natural abundance	1 mM
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

7 3D HNCA

Instrument

Oxford Avance - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
9	NMB1343	[U-100% 13C; U-100% 15N]	0.6 mM
10	sodium chloride	natural abundance	75 mM
11	sodium phosphate	natural abundance	25 mM
12	sodium azide	natural abundance	0.01 %
13	TSP	natural abundance	0.5 mM
14	DTT	natural abundance	1 mM
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

8 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
9	NMB1343	[U-100% 13C; U-100% 15N]	0.6 mM
10	sodium chloride	natural abundance	75 mM
11	sodium phosphate	natural abundance	25 mM
12	sodium azide	natural abundance	0.01 %
13	TSP	natural abundance	0.5 mM
14	DTT	natural abundance	1 mM
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

9 3D 1H-15N NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	NMB1343	[U-100% 15N]	0.3 mM
2	sodium chloride	natural abundance	75 mM
3	sodium phosphate	natural abundance	25 mM
4	sodium azide	natural abundance	0.01 %
5	TSP	natural abundance	0.5 mM
6	DTT	natural abundance	1 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

10 3D 1H-13C NOESY

Instrument

Oxford Avance - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
17	NMB1343	[U-100% 13C; U-100% 15N]	0.8 mM
18	sodium chloride	natural abundance	75 mM
19	sodium phosphate	natural abundance	25 mM
20	sodium azide	natural abundance	0.01 %
21	TSP	natural abundance	0.5 mM
22	DTT	natural abundance	1 mM
23	D2O	natural abundance	100 %

11 3D HCCH-TOCSY

Instrument

Oxford Avance - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
17	NMB1343	[U-100% 13C; U-100% 15N]	0.8 mM
18	sodium chloride	natural abundance	75 mM
19	sodium phosphate	natural abundance	25 mM
20	sodium azide	natural abundance	0.01 %
21	TSP	natural abundance	0.5 mM
22	DTT	natural abundance	1 mM
23	D2O	natural abundance	100 %

12 2D 1H-1H TOCSY

Instrument

Oxford Avance - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
17	NMB1343	[U-100% 13C; U-100% 15N]	0.8 mM
18	sodium chloride	natural abundance	75 mM
19	sodium phosphate	natural abundance	25 mM
20	sodium azide	natural abundance	0.01 %
21	TSP	natural abundance	0.5 mM
22	DTT	natural abundance	1 mM
23	D2O	natural abundance	100 %

13 2D 1H-1H NOESY

Instrument

Oxford Avance - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
9	NMB1343	[U-100% 13C; U-100% 15N]	0.6 mM
10	sodium chloride	natural abundance	75 mM
11	sodium phosphate	natural abundance	25 mM
12	sodium azide	natural abundance	0.01 %
13	TSP	natural abundance	0.5 mM
14	DTT	natural abundance	1 mM
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

14 2D 1H-15N HSQC T1 edited

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	NMB1343	[U-100% 15N]	0.3 mM
2	sodium chloride	natural abundance	75 mM
3	sodium phosphate	natural abundance	25 mM
4	sodium azide	natural abundance	0.01 %
5	TSP	natural abundance	0.5 mM
6	DTT	natural abundance	1 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

15 2D 1H-15N HSQC T2 edited

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	NMB1343	[U-100% 15N]	0.3 mM
2	sodium chloride	natural abundance	75 mM
3	sodium phosphate	natural abundance	25 mM
4	sodium azide	natural abundance	0.01 %
5	TSP	natural abundance	0.5 mM
6	DTT	natural abundance	1 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

16 2D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	NMB1343	[U-100% 15N]	0.3 mM
2	sodium chloride	natural abundance	75 mM
3	sodium phosphate	natural abundance	25 mM
4	sodium azide	natural abundance	0.01 %
5	TSP	natural abundance	0.5 mM
6	DTT	natural abundance	1 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

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Found 1 Document (1.139 seconds)

BMRB: 16737

Sample #1

Sample #2

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. NMB1343, : 1 : 1 entities Detail

Experiments performed 16 experiments Detail

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