BMRB: 6075

Backbone and side chain assignment of arsenate reductase from Bacillus Subtilis

Authors

Peng, K., Su, X., Xia, B., Jin, C.

Assembly

arsenate reductase monomer

Entity

1. arsenate reductase monomer (polymer, Thiol state: all free), 139 monomers, 15595.32 Da Detail

MENKIIYFLC TGNSCRSQMA EGWAKQYLGD EWKVYSAGIE AHGLNPNAVK AMKEVGIDIS NQTSDIIDSD ILNNADLVVT LCGDAADKCP MTPPHVKREH WGFDDPARAQ GTEEEKWAFF QRVRDEIGNR LKEFAETGK

Formula weight

15595.32 Da

Source organism

Bacillus subtilis

Exptl. method

NMR

Refine. method

simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.8 %, Completeness: 87.8 %, Completeness (bb): 96.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	87.8 % (1401 of 1596)	87.4 % (726 of 831)	85.7 % (526 of 614)	98.7 % (149 of 151)
Backbone	96.5 % (795 of 824)	96.5 % (274 of 284)	95.6 % (388 of 406)	99.3 % (133 of 134)
Sidechain	81.3 % (732 of 900)	82.6 % (452 of 547)	78.3 % (263 of 336)	100.0 % (17 of 17)
Aromatic	9.0 % (12 of 134)	11.9 % (8 of 67)	0.0 % (0 of 63)	100.0 % (4 of 4)
Methyl	98.5 % (128 of 130)	98.5 % (64 of 65)	98.5 % (64 of 65)

1. Arsenate reductase

MENKIIYFLC TGNSCRSQMA EGWAKQYLGD EWKVYSAGIE AHGLNPNAVK AMKEVGIDIS NQTSDIIDSD ILNNADLVVT LCGDAADKCP MTPPHVKREH WGFDDPARAQ GTEEEKWAFF QRVRDEIGNR LKEFAETGK

Show sample condition

Sample

Temperature 298 (±1) K, pH 6.85 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Arsenate reductase	[U-13C; U-15N]		1.0 ~ 3.0 mM
2	Tris-HCl buffer			20 mM
3	KCl			40 mM
4	Na2SO4			20 mM
5	DTT			20 mM
6	Urea			20 mM
7	H2O			95 %
8	D2O			5 %

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LACS Plot; CA

Referencing offset: -0.26 ppm, Outliers: 4 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	indirect	1.0
13C	DSS	methyl protons	0.0 ppm	external	indirect	0.0
15N	DSS	methyl protons	0.0 ppm	external	indirect	0.0

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LACS Plot; CB

Referencing offset: -0.26 ppm, Outliers: 4 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	indirect	1.0
13C	DSS	methyl protons	0.0 ppm	external	indirect	0.0
15N	DSS	methyl protons	0.0 ppm	external	indirect	0.0

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LACS Plot; HA

Referencing offset: -0.08 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	indirect	1.0
13C	DSS	methyl protons	0.0 ppm	external	indirect	0.0
15N	DSS	methyl protons	0.0 ppm	external	indirect	0.0

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LACS Plot; CO

Referencing offset: -0.27 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	indirect	1.0
13C	DSS	methyl protons	0.0 ppm	external	indirect	0.0
15N	DSS	methyl protons	0.0 ppm	external	indirect	0.0

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Protein Blocks Logo

Calculated from 20 models in PDB: 1Z2E, Strand ID: A Detail

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Release date

2004-07-05

Citation

1H, 13C and 15N resonance assignments of a Bacillus subtilis arsenate reductase
Peng, K., Su, X., Xia, B., Jin, C.
J. Biomol. NMR (2004), 29, 459-460, PubMed 15213468 , DOI 10.1023/B:JNMR.0000032555.97201.bb , Abstract

Related entities 1. arsenate reductase monomer, : 1 : 3 : 1 : 68 entities Detail

Experiments performed 7 experiments Detail