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BMRB: 16403

2KLX

SOLUTION STRUCTURE OF GLUTAREDOXIN FROM Bartonella henselae str. Houston. Seattle Structure Genomics Center for Infectious Disease (SSGCID)

Authors

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

Assembly

GLUTAREDOXIN

Entity

1. GLUTAREDOXIN (polymer, Thiol state: free and disulfide bound), 89 monomers, 10063.34 Da Detail

GPGSMKEIIL YTRPNCPYCK RARDLLDKKG VKYTDIDAST SLRQEMVQRA NGRNTFPQIF IGDYHVGGCD DLYALENKGK LDSLLQDVH

Formula weight

10063.34 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

Bartonella henselae str. Houston-1

Exptl. method

solution NMR

Refine. method

TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 84.1 %, Completeness (bb): 93.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.1 % (871 of 1036)	90.4 % (492 of 544)	72.4 % (289 of 399)	96.8 % (90 of 93)
Backbone	93.2 % (490 of 526)	92.9 % (169 of 182)	92.3 % (239 of 259)	96.5 % (82 of 85)
Sidechain	77.2 % (456 of 591)	89.2 % (323 of 362)	56.6 % (125 of 221)	100.0 % (8 of 8)
Aromatic	52.9 % (36 of 68)	94.1 % (32 of 34)	11.8 % (4 of 34)
Methyl	88.6 % (78 of 88)	95.5 % (42 of 44)	81.8 % (36 of 44)

1. GLUTAREDOXIN

GPGSMKEIIL YTRPNCPYCK RARDLLDKKG VKYTDIDAST SLRQEMVQRA NGRNTFPQIF IGDYHVGGCD DLYALENKGK LDSLLQDVH

Show sample condition

Sample #1

Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 298 K, pH 7 (±0)

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 15N]	0.5 (±0.05) mM
2	potassium phosphate	natural abundance	100 mM
3	potassium chloride	natural abundance	10 mM
4	D2O	natural abundance	8 %
5	H2O	natural abundance	92 %

Sample #2

Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 298 K, pH 7 (±0)

#	Name	Isotope labeling	Concentration
6	entity	[U-98% 13C; U-98% 15N]	0.8 (±0.05) mM
7	potassium phosphate	natural abundance	100 mM
8	potassium chloride	natural abundance	10 mM
9	D2O	natural abundance	8 %
10	H2O	natural abundance	92 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
¹H	water	protons	4.71 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: 0.07 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
¹H	water	protons	4.71 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: 0.07 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
¹H	water	protons	4.71 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
¹H	water	protons	4.71 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: 0.56 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2009-07-12

Related entities 1. GLUTAREDOXIN, : 1 : 291 entities Detail

Experiments performed 10 experiments Detail

1 3D 1H-15N TOCSY