BMRB: 16207

NmerA

Authors

Doetsch, V.

Assembly

NmerA

Entity

1. NmerA (polymer, Thiol state: all free), 69 monomers, 6911.944 Da Detail

MTHLKITGMT CDSCAAHVKE ALEKVPGVQS ALVSYPKGTA QLAIVPGTSP DALTAAVAGL GYKATLADA

Formula weight

6911.944 Da

Exptl. method

solution NMR

Refine. method

simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.6 %, Completeness: 80.8 %, Completeness (bb): 78.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	80.8 % (581 of 719)	92.8 % (336 of 362)	63.1 % (183 of 290)	92.5 % (62 of 67)
Backbone	78.8 % (320 of 406)	95.7 % (134 of 140)	61.7 % (124 of 201)	95.4 % (62 of 65)
Sidechain	83.5 % (314 of 376)	91.0 % (202 of 222)	73.7 % (112 of 152)	0.0 % (0 of 2)
Aromatic	33.3 % (8 of 24)	66.7 % (8 of 12)	0.0 % (0 of 12)
Methyl	89.0 % (89 of 100)	96.0 % (48 of 50)	82.0 % (41 of 50)

1. NmerA

MTHLKITGMT CDSCAAHVKE ALEKVPGVQS ALVSYPKGTA QLAIVPGTSP DALTAAVAGL GYKATLADA

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7, Details phosphate buffer pH 6.7, 1 mM NmerA

#	Name	Isotope labeling	Type	Concentration
1	NmerA	[U-100% 13C; U-100% 15N]		1 mM
2	phosphate buffer	natural abundance		50 mM

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LACS Plot; CA

Referencing offset: 1.83 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	internal	indirect	0.251
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.101

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LACS Plot; CB

Referencing offset: 1.83 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	internal	indirect	0.251
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.101

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LACS Plot; HA

Referencing offset: 0.04 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	internal	indirect	0.251
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.101

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Protein Blocks Logo

Calculated from 20 models in PDB: 2KT2, Strand ID: A Detail

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Release date

2010-09-09

Citation

NmerA of Tn501 mercuric ion reductase: structural modulation of the pKa values of the metal binding cysteine thiols
Ledwidge, R., Hong, B., Dotsch, V., Miller, S.M.
Biochemistry (2010), 49, 8988-8998, PubMed 20828160 , DOI 10.1021/bi100537f , Abstract

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. NmerA, : 1 : 2 : 314 entities Detail

Experiments performed 3 experiments Detail