BMRB Entry 19867

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR19867
MolProbity Validation Chart

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Title:
Structure of M. tuberculosis CrgA membrane protein in lipid bilayer
Deposition date:
2014-03-18
Original release date:
2014-12-15
Authors:
Das, Nabanita; Dai, Jian; Hung, Ivan; Rajagopalan, Malini; Zhou, Huan-Xiang; Cross, Timothy
Citation:

Citation: Das, Nabanita; Dai, Jian; Hung, Ivan; Rajagopalan, Malini; Zhou, Huan-Xiang; Cross, Timothy. "Transmembrane structural characterization of CrgA, a cell division regulatory protein from M. tuberculosis in lipid bilayers"  Proc. Natl. Acad. Sci. ., .-..

Assembly members:

Assembly members:
entity, polymer, 101 residues, 5876.252 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET29b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: MPKSKVRKKNDFTVSAVSRT PMKVKVGPSSVWFVSLFIGL MLIGLIWLMVFQLAAIGSQA PTALNWMAQLGPWNYAIAFA FMITGLLLTMRWHLEHHHHH H

Data sets:
Data typeCount
15N chemical shifts60
13C chemical shifts66

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1M. tuberculosis CrgA membrane protein1

Entities:

Entity 1, M. tuberculosis CrgA membrane protein 101 residues - 5876.252 Da.

1   METPROLYSSERLYSVALARGLYSLYSASN
2   ASPPHETHRVALSERALAVALSERARGTHR
3   PROMETLYSVALLYSVALGLYPROSERSER
4   VALTRPPHEVALSERLEUPHEILEGLYLEU
5   METLEUILEGLYLEUILETRPLEUMETVAL
6   PHEGLNLEUALAALAILEGLYSERGLNALA
7   PROTHRALALEUASNTRPMETALAGLNLEU
8   GLYPROTRPASNTYRALAILEALAPHEALA
9   PHEMETILETHRGLYLEULEULEUTHRMET
10   ARGTRPHISLEUGLUHISHISHISHISHIS
11   HIS

Samples:

sample_1: CrgA, [U-100% 13C; U-100% 15N], 2.0 g/L; CrgA, [U-15N]-Leu, 200 mg/L; CrgA, [U-15N]-Ala, 200 mg/L; CrgA, [U-15N]-Val, 200 mg/L; CrgA, [U-15N]-Ile, 200 mg/L; CrgA, [U-15N]-Trp, 200 mg/L; CrgA, [U-15N]-Tyr, 200 mg/L; CrgA, [U-15N]-Met, 200 mg/L; CrgA, [U-15N]-Phe, 200 mg/L; CrgA, [U-15N]-Thr, 200 mg/L; CrgA, [U-15N]-Gly, 200 mg/L; CrgA, [U-15N]-Ser, 200 mg/L; CrgA, [U-15N]-Arg, 200 mg/L; CrgA, [U-15N]-Asn, 200 mg/L

sample_2: CrgA uniform label, [U-100% 13C; U-100% 15N], 2.0 g/L; CrgA reverse label (TIFSW not labelled), [U-100% 13C], 2.0 g/L; CrgA reverse label (ILFYS not labelled), [U-100% 13C], 2.0 g/L

sample_conditions_1: pH: 8.0; pressure: 1 atm; temperature: 273 K

sample_conditions_2: pH: 8.0; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D PISEMAsample_1anisotropicsample_conditions_1
2D 13C-13C DARRsample_2isotropicsample_conditions_2
3D NCACX,NCOCX,CAN(CO)CXsample_2isotropicsample_conditions_2

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

SPARKY v3.114, Goddard - chemical shift assignment, data analysis

X-PLOR_NIH v2.34, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NAMD v2.9, (NAMD) Phillips, Braun, Wang, Gumbart, Tajkhorshid, Villa, Chipot, Skeel, Kale and Schulten - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 600 MHz

Related Database Links:

PDB
DBJ BAH24313 BAL63834 BAQ03841 GAA43817
EMBL CAL69995 CAL70025 CCC25085 CCC42351 CCC62604
GB AAK44236 ABQ71731 ABR04354 ACT23032 AEB02140
REF NP_214525 NP_853681 WP_003400344 WP_003905205 WP_031726932
SP A5TY81 C1AJ08 P67377 P9WP56 P9WP57
AlphaFold A5TY81 C1AJ08 P67377 P9WP56 P9WP57