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BMRB: 16264

2KHP

Solution structure of Glutaredoxin from Brucella melitensis. Seattle Structure Genomics Center for Infectious Disease (SSGCID) (Target ID BrabA.00079.a)

Authors

Zheng, S., Leeper, T., Varani, G.

Assembly

Glutaredoxin

Entity

1. Glutaredoxin (polymer, Thiol state: free and disulfide bound), 92 monomers, 9944.257 Da Detail

GPGSMVDVII YTRPGCPYCA RAKALLARKG AEFNEIDASA TPELRAEMQE RSGRNTFPQI FIGSVHVGGC DDLYALEDEG KLDSLLKTGK LI

Formula weight

9944.257 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS16:SG	1:CYS19:SG

Source organism

Brucella melitensis

Exptl. method

solution NMR

Refine. method

TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 87.3 %, Completeness (bb): 82.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.3 % (897 of 1027)	97.9 % (523 of 534)	70.9 % (285 of 402)	97.8 % (89 of 91)
Backbone	82.5 % (447 of 542)	97.9 % (185 of 189)	66.5 % (177 of 266)	97.7 % (85 of 87)
Sidechain	93.7 % (531 of 567)	98.0 % (338 of 345)	86.7 % (189 of 218)	100.0 % (4 of 4)
Aromatic	55.2 % (32 of 58)	100.0 % (29 of 29)	10.3 % (3 of 29)
Methyl	100.0 % (102 of 102)	100.0 % (51 of 51)	100.0 % (51 of 51)

1. Glutaredoxin

GPGSMVDVII YTRPGCPYCA RAKALLARKG AEFNEIDASA TPELRAEMQE RSGRNTFPQI FIGSVHVGGC DDLYALEDEG KLDSLLKTGK LI

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	Glutaredoxin	[U-100% 15N]	2.0 mM
2	KHPO4	natural abundance	20 mM
3	KCL	natural abundance	100 mM
4	H20	natural abundance	95 %
5	D20	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
6	Glutaredoxin	[U-100% 13C; U-100% 15N]	2.0 mM
7	KHPO4	natural abundance	20 mM
8	KCL	natural abundance	100 mM
9	H20	natural abundance	95 %
10	D20	natural abundance	5 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	45.0 ppm	null	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	118.0 ppm	null	indirect	0.1013291

Referencing offset: -0.67 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	45.0 ppm	null	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	118.0 ppm	null	indirect	0.1013291

Referencing offset: -0.67 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	45.0 ppm	null	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	118.0 ppm	null	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2009-07-13

Citation

No title is available
Zheng, S., Leeper, T., Varani, G.

Related entities 1. Glutaredoxin, : 1 : 1 : 255 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC