BMRB Entry 25464

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25464
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
Solution structure of an MbtH-like protein from Mycobacterium marinum. Seattle Structural Genomics Center for Infectious Disease target MymaA.01649.c
Deposition date:
2015-02-02
Original release date:
2015-03-30
Authors:
Buchko, Garry
Citation:

Citation: Zhang, Yanfeng; Zheng, Yi; Qin, Ling; Wang, Shihua; Buchko, Garry; Garavito, R. Michael. "Structural characterization of a beta-hydroxyacid dehydrogenase from Geobacter sulfurreducens and Geobacter metallireducens with succinic semialdehyde reductase activity"  Biochimie 104, 61-69 (2014).
PubMed: 24878278

Assembly members:

Assembly members:
entity, polymer, 80 residues, 9012.041 Da.

Natural source:

Natural source:   Common Name: high GC Gram+ bacteria   Taxonomy ID: 1348799   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Mycobacterium marinum

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: AVA0421

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GPGSMKIMSDNPFDDEDGMF FVLINDEEQHSLWPTFADVP AGWRVVFGEASRASCVEYVD QHWTDIRPKSLREKLASGQG

Data sets:
Data typeCount
1H chemical shifts412
13C chemical shifts267
15N chemical shifts65

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 80 residues - 9012.041 Da.

1   GLYPROGLYSERMETLYSILEMETSERASP
2   ASNPROPHEASPASPGLUASPGLYMETPHE
3   PHEVALLEUILEASNASPGLUGLUGLNHIS
4   SERLEUTRPPROTHRPHEALAASPVALPRO
5   ALAGLYTRPARGVALVALPHEGLYGLUALA
6   SERARGALASERCYSVALGLUTYRVALASP
7   GLNHISTRPTHRASPILEARGPROLYSSER
8   LEUARGGLULYSLEUALASERGLYGLNGLY

Samples:

sample_1: entity, [U-99% 13C; U-99% 15N], 1 ± 0.2 mM; sodium chloride 100 ± 2 mM; TRIS 20 ± 0.5 mM; DTT 1 ± 0.1 mM; D2O 7%; H2O 93%

sample_2: entity, [U-99% 13C; U-99% 15N], 1 ± 0.2 mM; sodium chloride 100 ± 2 mM; TRIS 20 ± 0.5 mM; DTT 1 ± 0.1 mM; D2O 100%

sample_conditions_1: temperature: 293 K; pH: 7; pressure: 1 atm; ionic strength: 0.12 M

Experiments:

NameSampleSample stateSample conditions
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
D2O exchangesample_2isotropicsample_conditions_1
HBCBCGCDHDsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1

Software:

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

SPARKY v3.115, Goddard - data analysis, peak picking

Felix v2007, Accelrys Software Inc. - processing

TALOS v+, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

  • Agilent VNMRS 800 MHz
  • Agilent VNMRS 600 MHz

Related Database Links:

PDB
EMBL CDM77311
GB ACC41692 EPQ77034 EPQ80949
REF WP_020725647

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks