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BMRB: 19558

2MYI

Backbone and stereospecific Methyl Ile(d1), Leu and Val chemical shift assignment of Crc

Authors

Sharma, R., Ray, M.K., Deshmukh, M.V.

Assembly

Crc

Entity

1. Crc (polymer, Thiol state: all free), 265 monomers, 30721.23 × 4 Da Detail

MRIISVNVNG IQTAVERGLL SWLQAQNADV ICLQDTRASA FELDDPAYQL DGYFLYACEA EVPAQGGVAL YSRLQPKAVI TGLGFETADR YGRYLQADFD KVSIATLLLP SGQNGDEDLN QKFKLMDDFA RYLDKQRRKR REYIYCGSLY VAQQKLDIKN WRDSQQSPGF LAPERAWMDE IVGNMGYVDA LREVSREGDQ YSWWPDNEQA EMLNLGWRFD YQLLTPGLRR FVRSARLPRQ PRFSQHAPLI VDYDWTLTIH HHHHH

Total weight

122884.92 Da

Max. entity weight

30721.23 Da

Source organism

Pseudomonas syringae

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.0 %, Completeness: 51.8 %, Completeness (bb): 81.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	51.8 % (1636 of 3159)	32.4 % (533 of 1647)	70.4 % (860 of 1222)	83.8 % (243 of 290)
Backbone	81.4 % (1276 of 1568)	54.1 % (290 of 536)	96.1 % (748 of 778)	93.7 % (238 of 254)
Sidechain	32.5 % (597 of 1839)	22.0 % (244 of 1111)	50.4 % (349 of 692)	11.1 % (4 of 36)
Aromatic	5.2 % (17 of 324)	7.4 % (12 of 162)	3.2 % (5 of 155)	0.0 % (0 of 7)
Methyl	70.3 % (194 of 276)	63.0 % (87 of 138)	77.5 % (107 of 138)

1. Crc

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	Crc	[U-100% 13C; U-100% 15N; U-80% 2H]	350.0 ~ 600.0 uM
2	H2O	natural abundance	90 %
3	D2O	[U-100% 2H]	10 %
4	Potassium phosphate buffer	natural abundance	50 mM
5	Na2SO4	natural abundance	100 mM
6	NaCl	natural abundance	50 mM
7	Proline	natural abundance	10 mM
8	Arginine	natural abundance	25 mM
9	Glutamate	natural abundance	25 mM
10	DTT	natural abundance	5 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
11	Crc	natural abundance	350.0 ~ 600.0 uM
12	D2O	[U-100% 2H]	100 %
13	Potassium phosphate buffer	natural abundance	50 mM
14	Na2SO4	natural abundance	100 mM
15	NaCl	natural abundance	50 mM
16	Proline	natural abundance	10 mM
17	Arginine	natural abundance	25 mM
18	Glutamate	natural abundance	25 mM
19	DTT	natural abundance	5 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
20	Crc	[U-100% 15N]	350.0 ~ 600.0 uM
21	H2O	natural abundance	90 %
22	D2O	[U-100% 2H]	10 %
23	Potassium phosphate buffer	natural abundance	50 mM
24	Na2SO4	natural abundance	100 mM
25	NaCl	natural abundance	50 mM
26	Proline	natural abundance	10 mM
27	Arginine	natural abundance	25 mM
28	Glutamate	natural abundance	25 mM
29	DTT	natural abundance	5 mM

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
30	Crc	[U-10% 13C]	350.0 ~ 600.0 uM
31	H2O	natural abundance	90 %
32	D2O	[U-100% 2H]	10 %
33	Potassium phosphate buffer	natural abundance	50 mM
34	Na2SO4	natural abundance	100 mM
35	NaCl	natural abundance	50 mM
36	Proline	natural abundance	10 mM
37	Arginine	natural abundance	25 mM
38	Glutamate	natural abundance	25 mM
39	DTT	natural abundance	5 mM

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
40	Crc	[U-13C,1H Methyl Ile(d1), Leu, Val; U-100% 15N; U-100% 2H]	350.0 ~ 600.0 uM
41	H2O	natural abundance	90 %
42	D2O	[U-100% 2H]	10 %
43	Potassium phosphate buffer	natural abundance	50 mM
44	Na2SO4	natural abundance	100 mM
45	NaCl	natural abundance	50 mM
46	Proline	natural abundance	10 mM
47	Arginine	natural abundance	25 mM
48	Glutamate	natural abundance	25 mM
49	DTT	natural abundance	5 mM

Sample #6

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
50	Crc	[U-13C,1H Methyl Ile(d1), Leu, Val; U-100% 15N; U-100% 2H]	350.0 ~ 600.0 uM
51	D2O	[U-100% 2H]	100 %
52	Potassium phosphate buffer	natural abundance	50 mM
53	Na2SO4	natural abundance	100 mM
54	NaCl	natural abundance	50 mM
55	Proline	natural abundance	10 mM
56	Arginine	natural abundance	25 mM
57	Glutamate	natural abundance	25 mM
58	DTT	natural abundance	5 mM

Sample #7

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
59	Crc	[U-13C, 1H Ile, Leu, Val; U-100% 15N; U-100% 2H]	350.0 ~ 600.0 uM
60	H2O	natural abundance	90 %
61	D2O	[U-100% 2H]	10 %
62	Potassium phosphate buffer	natural abundance	50 mM
63	Na2SO4	natural abundance	100 mM
64	NaCl	natural abundance	50 mM
65	Proline	natural abundance	10 mM
66	Arginine	natural abundance	25 mM
67	Glutamate	natural abundance	25 mM
68	DTT	natural abundance	5 mM

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: 0.98 ppm, Outliers: 3 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: 0.98 ppm, Outliers: 3 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: -0.27 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2MYI, Strand ID: A Detail

Release date

2014-02-11

Citation

Backbone and stereospecific (13)C methyl Ile (δ1), Leu and Val side-chain chemical shift assignments of Crc
Sharma, R., Sahu, B., Ray, M.K., Deshmukh, M.V.
Biomol. NMR Assign. (2015), 9, 75-79, PubMed 24496608 , DOI 10.1007/s12104-014-9548-0 , Abstract

Related entities 1. Crc, : 1 : 147 entities Detail

Experiments performed 18 experiments Detail

1 2D 1H-15N TROSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
20	Crc	[U-100% 15N]	350.0 ~ 600.0 uM
21	H2O	natural abundance	90 %
22	D2O	[U-100% 2H]	10 %
23	Potassium phosphate buffer	natural abundance	50 mM
24	Na2SO4	natural abundance	100 mM
25	NaCl	natural abundance	50 mM
26	Proline	natural abundance	10 mM
27	Arginine	natural abundance	25 mM
28	Glutamate	natural abundance	25 mM
29	DTT	natural abundance	5 mM

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
40	Crc	[U-13C,1H Methyl Ile(d1), Leu, Val; U-100% 15N; U-100% 2H]	350.0 ~ 600.0 uM
41	H2O	natural abundance	90 %
42	D2O	[U-100% 2H]	10 %
43	Potassium phosphate buffer	natural abundance	50 mM
44	Na2SO4	natural abundance	100 mM
45	NaCl	natural abundance	50 mM
46	Proline	natural abundance	10 mM
47	Arginine	natural abundance	25 mM
48	Glutamate	natural abundance	25 mM
49	DTT	natural abundance	5 mM

3 3D TROSY-HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	Crc	[U-100% 13C; U-100% 15N; U-80% 2H]	350.0 ~ 600.0 uM
2	H2O	natural abundance	90 %
3	D2O	[U-100% 2H]	10 %
4	Potassium phosphate buffer	natural abundance	50 mM
5	Na2SO4	natural abundance	100 mM
6	NaCl	natural abundance	50 mM
7	Proline	natural abundance	10 mM
8	Arginine	natural abundance	25 mM
9	Glutamate	natural abundance	25 mM
10	DTT	natural abundance	5 mM

4 3D TROSY-HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	Crc	[U-100% 13C; U-100% 15N; U-80% 2H]	350.0 ~ 600.0 uM
2	H2O	natural abundance	90 %
3	D2O	[U-100% 2H]	10 %
4	Potassium phosphate buffer	natural abundance	50 mM
5	Na2SO4	natural abundance	100 mM
6	NaCl	natural abundance	50 mM
7	Proline	natural abundance	10 mM
8	Arginine	natural abundance	25 mM
9	Glutamate	natural abundance	25 mM
10	DTT	natural abundance	5 mM

5 3D TROSY-HN(CA)CB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	Crc	[U-100% 13C; U-100% 15N; U-80% 2H]	350.0 ~ 600.0 uM
2	H2O	natural abundance	90 %
3	D2O	[U-100% 2H]	10 %
4	Potassium phosphate buffer	natural abundance	50 mM
5	Na2SO4	natural abundance	100 mM
6	NaCl	natural abundance	50 mM
7	Proline	natural abundance	10 mM
8	Arginine	natural abundance	25 mM
9	Glutamate	natural abundance	25 mM
10	DTT	natural abundance	5 mM

6 3D TROSY-HN(CO)CA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	Crc	[U-100% 13C; U-100% 15N; U-80% 2H]	350.0 ~ 600.0 uM
2	H2O	natural abundance	90 %
3	D2O	[U-100% 2H]	10 %
4	Potassium phosphate buffer	natural abundance	50 mM
5	Na2SO4	natural abundance	100 mM
6	NaCl	natural abundance	50 mM
7	Proline	natural abundance	10 mM
8	Arginine	natural abundance	25 mM
9	Glutamate	natural abundance	25 mM
10	DTT	natural abundance	5 mM

7 3D TROSY-HN(COCA)CB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	Crc	[U-100% 13C; U-100% 15N; U-80% 2H]	350.0 ~ 600.0 uM
2	H2O	natural abundance	90 %
3	D2O	[U-100% 2H]	10 %
4	Potassium phosphate buffer	natural abundance	50 mM
5	Na2SO4	natural abundance	100 mM
6	NaCl	natural abundance	50 mM
7	Proline	natural abundance	10 mM
8	Arginine	natural abundance	25 mM
9	Glutamate	natural abundance	25 mM
10	DTT	natural abundance	5 mM

8 2D 1H-1H TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
11	Crc	natural abundance	350.0 ~ 600.0 uM
12	D2O	[U-100% 2H]	100 %
13	Potassium phosphate buffer	natural abundance	50 mM
14	Na2SO4	natural abundance	100 mM
15	NaCl	natural abundance	50 mM
16	Proline	natural abundance	10 mM
17	Arginine	natural abundance	25 mM
18	Glutamate	natural abundance	25 mM
19	DTT	natural abundance	5 mM

9 2D 1H-1H NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
11	Crc	natural abundance	350.0 ~ 600.0 uM
12	D2O	[U-100% 2H]	100 %
13	Potassium phosphate buffer	natural abundance	50 mM
14	Na2SO4	natural abundance	100 mM
15	NaCl	natural abundance	50 mM
16	Proline	natural abundance	10 mM
17	Arginine	natural abundance	25 mM
18	Glutamate	natural abundance	25 mM
19	DTT	natural abundance	5 mM

10 3D-1H(15N) HMQC NOESY-1H-15N FHSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	Crc	[U-100% 13C; U-100% 15N; U-80% 2H]	350.0 ~ 600.0 uM
2	H2O	natural abundance	90 %
3	D2O	[U-100% 2H]	10 %
4	Potassium phosphate buffer	natural abundance	50 mM
5	Na2SO4	natural abundance	100 mM
6	NaCl	natural abundance	50 mM
7	Proline	natural abundance	10 mM
8	Arginine	natural abundance	25 mM
9	Glutamate	natural abundance	25 mM
10	DTT	natural abundance	5 mM

11 3D H(CCCO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
59	Crc	[U-13C, 1H Ile, Leu, Val; U-100% 15N; U-100% 2H]	350.0 ~ 600.0 uM
60	H2O	natural abundance	90 %
61	D2O	[U-100% 2H]	10 %
62	Potassium phosphate buffer	natural abundance	50 mM
63	Na2SO4	natural abundance	100 mM
64	NaCl	natural abundance	50 mM
65	Proline	natural abundance	10 mM
66	Arginine	natural abundance	25 mM
67	Glutamate	natural abundance	25 mM
68	DTT	natural abundance	5 mM

12 3D (H)C(CCO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
59	Crc	[U-13C, 1H Ile, Leu, Val; U-100% 15N; U-100% 2H]	350.0 ~ 600.0 uM
60	H2O	natural abundance	90 %
61	D2O	[U-100% 2H]	10 %
62	Potassium phosphate buffer	natural abundance	50 mM
63	Na2SO4	natural abundance	100 mM
64	NaCl	natural abundance	50 mM
65	Proline	natural abundance	10 mM
66	Arginine	natural abundance	25 mM
67	Glutamate	natural abundance	25 mM
68	DTT	natural abundance	5 mM

13 15N-edited 3D NOESY HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
20	Crc	[U-100% 15N]	350.0 ~ 600.0 uM
21	H2O	natural abundance	90 %
22	D2O	[U-100% 2H]	10 %
23	Potassium phosphate buffer	natural abundance	50 mM
24	Na2SO4	natural abundance	100 mM
25	NaCl	natural abundance	50 mM
26	Proline	natural abundance	10 mM
27	Arginine	natural abundance	25 mM
28	Glutamate	natural abundance	25 mM
29	DTT	natural abundance	5 mM

14 13C-edited 3D NOESY-HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
50	Crc	[U-13C,1H Methyl Ile(d1), Leu, Val; U-100% 15N; U-100% 2H]	350.0 ~ 600.0 uM
51	D2O	[U-100% 2H]	100 %
52	Potassium phosphate buffer	natural abundance	50 mM
53	Na2SO4	natural abundance	100 mM
54	NaCl	natural abundance	50 mM
55	Proline	natural abundance	10 mM
56	Arginine	natural abundance	25 mM
57	Glutamate	natural abundance	25 mM
58	DTT	natural abundance	5 mM

15 3D-(1H) 13C HMQC NOESY-15N FHSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
40	Crc	[U-13C,1H Methyl Ile(d1), Leu, Val; U-100% 15N; U-100% 2H]	350.0 ~ 600.0 uM
41	H2O	natural abundance	90 %
42	D2O	[U-100% 2H]	10 %
43	Potassium phosphate buffer	natural abundance	50 mM
44	Na2SO4	natural abundance	100 mM
45	NaCl	natural abundance	50 mM
46	Proline	natural abundance	10 mM
47	Arginine	natural abundance	25 mM
48	Glutamate	natural abundance	25 mM
49	DTT	natural abundance	5 mM

16 3D-1H (13C) HMQC-NOESY-15N FHSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
40	Crc	[U-13C,1H Methyl Ile(d1), Leu, Val; U-100% 15N; U-100% 2H]	350.0 ~ 600.0 uM
41	H2O	natural abundance	90 %
42	D2O	[U-100% 2H]	10 %
43	Potassium phosphate buffer	natural abundance	50 mM
44	Na2SO4	natural abundance	100 mM
45	NaCl	natural abundance	50 mM
46	Proline	natural abundance	10 mM
47	Arginine	natural abundance	25 mM
48	Glutamate	natural abundance	25 mM
49	DTT	natural abundance	5 mM

17 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
30	Crc	[U-10% 13C]	350.0 ~ 600.0 uM
31	H2O	natural abundance	90 %
32	D2O	[U-100% 2H]	10 %
33	Potassium phosphate buffer	natural abundance	50 mM
34	Na2SO4	natural abundance	100 mM
35	NaCl	natural abundance	50 mM
36	Proline	natural abundance	10 mM
37	Arginine	natural abundance	25 mM
38	Glutamate	natural abundance	25 mM
39	DTT	natural abundance	5 mM

18 3D TROSY-HN(CA)CO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	Crc	[U-100% 13C; U-100% 15N; U-80% 2H]	350.0 ~ 600.0 uM
2	H2O	natural abundance	90 %
3	D2O	[U-100% 2H]	10 %
4	Potassium phosphate buffer	natural abundance	50 mM
5	Na2SO4	natural abundance	100 mM
6	NaCl	natural abundance	50 mM
7	Proline	natural abundance	10 mM
8	Arginine	natural abundance	25 mM
9	Glutamate	natural abundance	25 mM
10	DTT	natural abundance	5 mM

NMR combined restraints 8 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_19558_2myi.nef
Input source #2: Coordindates	2myi.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

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

None

Non-standard residues

None

Sequence alignments

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

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MRIISVNVNGIQTAVERGLLSWLQAQNADVICLQDTRASAFELDDPAYQLDGYFLYACEAEVPAQGGVALYSRLQPKAVITGLGFETADRYGRYLQADFD
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MRIISVNVNGIQTAVERGLLSWLQAQNADVICLQDTRASAFELDDPAYQLDGYFLYACEAEVPAQGGVALYSRLQPKAVITGLGFETADRYGRYLQADFD

-------110-------120-------130-------140-------150-------160-------170-------180-------190-------200
KVSIATLLLPSGQNGDEDLNQKFKLMDDFARYLDKQRRKRREYIYCGSLYVAQQKLDIKNWRDSQQSPGFLAPERAWMDEIVGNMGYVDALREVSREGDQ
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KVSIATLLLPSGQNGDEDLNQKFKLMDDFARYLDKQRRKRREYIYCGSLYVAQQKLDIKNWRDSQQSPGFLAPERAWMDEIVGNMGYVDALREVSREGDQ

-------210-------220-------230-------240-------250---------
YSWWPDNEQAEMLNLGWRFDYQLLTPGLRRFVRSARLPRQPRFSQHAPLIVDYDWTLTI
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
YSWWPDNEQAEMLNLGWRFDYQLLTPGLRRFVRSARLPRQPRFSQHAPLIVDYDWTLTI

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	259	0	0	100.0

Content subtype: combined_19558_2myi.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1378		98.5 (chain: A, length: 259)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	814 (1)	noe	86.1 (chain: A, length: 259)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	Warning	225 (1)	noe	19.3 (chain: A, length: 259)
3	Distance restraints	CNS/XPLOR_distance_constraints_5	OK	130 (1)	pre	40.2 (chain: A, length: 259)
4	Distance restraints	CNS/XPLOR_distance_constraints_7	Warning	158 (1)	hbond	38.2 (chain: A, length: 259)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	371 (371)	.	91.5 (chain: A, length: 259)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_6	OK	98 (98)	.	37.8 (chain: A, length: 259)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 259, Sequence coverage: 98.5%
- Total number of assignments
  - ¹³C chemical shifts: 825
  - ¹H chemical shifts: 318
  - ¹⁵N chemical shifts: 235
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	1192	825	69.2
¹H chemical shifts	1611	318	19.7
¹⁵N chemical shifts	306	235	76.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	518	507	97.9
¹H chemical shifts	524	235	44.8
¹⁵N chemical shifts	248	235	94.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	674	318	47.2
¹H chemical shifts	1087	83	7.6
¹⁵N chemical shifts	58	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	143	104	72.7
¹H chemical shifts	143	83	58.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	143	0	0.0
¹H chemical shifts	150	0	0.0
¹⁵N chemical shifts	7	0	0.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 259, Sequence coverage: 86.1%
- Total number of restraints: 814
- Weight of restraints: 1.0 (814)
- Potential type of restraints: square-well-parabolic (814)
- Range of distance target values: 2.5, 4.15 (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
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: Warning
  - Experiment type: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 259, Sequence coverage: 19.3%
  - Total number of restraints: 225
  - Weight of restraints: 1.0 (225)
  - Potential type of restraints: square-well-parabolic (225)
  - Range of distance target values: 2.4, 4.15 (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
  - Saveframe: CNS/XPLOR_distance_constraints_5
    - Status: OK
    - Experiment type: pre
    - Sequence coverage of experimental data
      - Entity_assembly_ID: A, Chain length: 259, Sequence coverage: 40.2%
    - Total number of restraints: 130
    - Weight of restraints: 1.0 (130)
    - Potential type of restraints: square-well-parabolic (130)
    - Range of distance target values: 5.9, 9.9 (Å)
    - Histogram of distance target values
    - Distance restraints per residue
      - Chain_ID: A
    - Distance restraints on contact map
    - Saveframe: CNS/XPLOR_distance_constraints_7
      - Status: Warning
      - Experiment type: hbond
      - Sequence coverage of experimental data
        Entity_assembly_ID: A, Chain length: 259, Sequence coverage: 38.2%
      - Total number of restraints: 158
        Total hydrogen bond restraints: 158
        O...H-x: 36
        O...h-N: 36
        Long range: 86
        O...H-x: 42
        O...h-N: 42
        O...h-N (too far!): 2
      - Weight of restraints: 1.0 (158)
        Total hydrogen bond restraints: 1.0 (158)
        O...H-x: 1.0 (36)
        O...h-N: 1.0 (36)
        Long range: 1.0 (86)
        O...H-x: 1.0 (42)
        O...h-N: 1.0 (42)
        O...h-N (too far!): 1.0 (2)
      - Potential type of restraints: square-well-parabolic (158)
        Total hydrogen bond restraints: square-well-parabolic (158)
        O...H-x: square-well-parabolic (36)
        O...h-N: square-well-parabolic (36)
        Long range: square-well-parabolic (86)
        O...H-x: square-well-parabolic (42)
        O...h-N: square-well-parabolic (42)
        O...h-N (too far!): square-well-parabolic (2)
      - Range of distance target values: 2.15, 4.25 (Å)
      - Histogram of 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: 259, Sequence coverage: 91.5%
- Total number of restraints: 371
- Total number of restraints per polymer type: 371
- Weight of restraints: 1.0 (371)
- Potential type of restraints: square-well-parabolic (371)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_6
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 259, Sequence coverage: 37.8%
- Total number of restraints: 98
- Potential type of restraints: undefined (98)
- Range of observed RDC values: 100.0, -100.0 (Hz)
- RDC restraints per residue

Keywords Carbon catabolite repression, CCR, Crc, Pseudomonads, RNA binding protein

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BMRB: 19558

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Crc, : 1 : 147 entities Detail

Experiments performed 18 experiments Detail

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NMR combined restraints 8 contents Detail