BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 16473

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16473

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Title: Solution structure of zinc-substituted rubredoxin B (Rv3250c) from Mycobacterium tuberculosis. Seattle Structural Genomics Center for Infectious Disease(SSGCID)target MytuD.01635a

Deposition date: 2009-08-28 Original release date: 2009-09-02

Authors: Buchko, Garry; Hewitt, Stephan; Napuli, Alberto; Van Voorhis, Wesley

Citation: Buchko, Garry; Hewitt, Stephan; Napuli, Alberto; Van Voorhis, Wesley; Myler, Peter. "Solution structure of zinc-associated rubredoxin B (Rv3250c) from Mycobacterium tuberculosis."  Not known ., .-..

Assembly members:
Rv3250c, polymer, 81 residues, Formula weight is not available
ZN, non-polymer, 65.409 Da.

Natural source:   Common Name: Mycobacterium tuberculosis   Taxonomy ID: 83332   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Mycobacterium tuberculosis

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

Entity Sequences (FASTA):
Rv3250c: MAHHHHHHMGTLEAQTQGPG SMNDYKLFRCIQCGFEYDEA LGWPEDGIAAGTRWDDIPDD WSCPDCGAAKSDFEMVEVAR S

Data sets:
Data typeCount
13C chemical shifts265
15N chemical shifts71
1H chemical shifts391

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Rv3250c1
2ZINC ION2

Entities:

Entity 1, Rv3250c 81 residues - Formula weight is not available

The first 21 residues (MAHHHHHHMGTLEAQTQGPGS) are a non-native tag used to facilitate protein purificaton.

1   METALAHISHISHISHISHISHISMETGLY
2   THRLEUGLUALAGLNTHRGLNGLYPROGLY
3   SERMETASNASPTYRLYSLEUPHEARGCYS
4   ILEGLNCYSGLYPHEGLUTYRASPGLUALA
5   LEUGLYTRPPROGLUASPGLYILEALAALA
6   GLYTHRARGTRPASPASPILEPROASPASP
7   TRPSERCYSPROASPCYSGLYALAALALYS
8   SERASPPHEGLUMETVALGLUVALALAARG
9   SER

Entity 2, ZINC ION - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: sodium chloride 100 ± 2 mM; DTT 1 ± 0.05 mM; TRIS 20 ± 0.2 mM; Rv3250c, [U-98% 13C; U-98% 15N], 1-2 ± 0.1 mM; D2O 10%; H2O 90%

sample_2: sodium chloride 100 ± 2 mM; DTT 1 ± 0.05 mM; TRIS 20 ± 0.2 mM; Rv3250c, [U-98% 13C; U-98% 15N], 1-2 ± 0.1 mM; D2O 100%

sample_conditions_1: ionic strength: 0.12 M; pH: 7.1; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
Deuterium exchangesample_2isotropicsample_conditions_1

Software:

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

FELIX v2007, Accelrys Software Inc. - processing

SPARKY v3.115, Goddard - data analysis

PSVS, Bhattacharya and Montelione - data analysis

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

NMR spectrometers:

  • Varian INOVA 750 MHz
  • Varian INOVA 600 MHz

Related Database Links:

PDB
DBJ BAH27553 BAL67338 BAQ07436 GAA46892
EMBL CAL73268 CCC28331 CCC45600 CCC65856 CCE38704
GB AAK47690 ABQ75074 ABR07604 ACT26398 AEB05450
REF NP_217767 NP_856923 WP_003417044 WP_015303785 WP_031712016

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts