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Biological Magnetic Resonance Data Bank


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BMRB Entry 15354

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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/BMR15354
MolProbity Validation Chart

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Title: NMR Structure of protein Q60C73_METCA:Northeast Structural Genomics Consortium target McR1

Deposition date: 2007-06-29 Original release date: 2007-08-29

Authors: SINGARAPU, KIRAN KUMAR; WU, YIBING; ELETSKY, ALEX; SUKUMARAN, DINESH; PARISH, DAVID; CHEN, CHEN; NWOSU, CHIOMA; MAGLAQUI, MELISSA; XIAO, RONG; LIU, JINFENG; BARAN, MICHEAL; G.V.T., SWAPNA; ACTON, THOMAS; ROST, BURKHARD; GAETANO, MONTELIONE; SZYPERSKI, THOMAS

Citation: SINGARAPU, KIRAN KUMAR; WU, YIBING; ELETSKY, ALEX; SUKUMARAN, DINESH; PARISH, DAVID; CHEN, CHEN; NWOSU, CHIOMA; MAGLAQUI, MELISSA; XIAO, RONG; LIU, JINFENG; BARAN, MICHEAL; G.V.T., SWAPNA; ACTON, THOMAS; ROST, BURKHARD; GAETANO, MONTELIONE; SZYPERSKI, THOMAS. "NMR Structure of protein Q60C73_METCA"  . ., .-..

Assembly members:
protein Q60C73_METCA, polymer, 142 residues, 16520.779 Da.

Natural source:   Common Name: not available   Taxonomy ID: 1076   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Methylococcus Capsulatus

Experimental source:   Production method: recombinant technology   Host organism: E. coli - cell free

Entity Sequences (FASTA):
protein Q60C73_METCA: MSEGAEELKAKLKKLNAQAT ALKMDLHDLAEDLPTGWNRI MEVAEKTYEAYRQLDEFRKS TASLEHHHHHHMSEGAEELK AKLKKLNAQATALKMDLHDL AEDLPTGWNRIMEVAEKTYE AYRQLDEFRKSTASLEHHHH HH

Data sets:
Data typeCount
13C chemical shifts301
15N chemical shifts71
1H chemical shifts486

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1chain11
2chain21

Entities:

Entity 1, chain1 142 residues - 16520.779 Da.

1   METSERGLUGLYALAGLUGLULEULYSALA
2   LYSLEULYSLYSLEUASNALAGLNALATHR
3   ALALEULYSMETASPLEUHISASPLEUALA
4   GLUASPLEUPROTHRGLYTRPASNARGILE
5   METGLUVALALAGLULYSTHRTYRGLUALA
6   TYRARGGLNLEUASPGLUPHEARGLYSSER
7   THRALASERLEUGLUHISHISHISHISHIS
8   HISMETSERGLUGLYALAGLUGLULEULYS
9   ALALYSLEULYSLYSLEUASNALAGLNALA
10   THRALALEULYSMETASPLEUHISASPLEU
11   ALAGLUASPLEUPROTHRGLYTRPASNARG
12   ILEMETGLUVALALAGLULYSTHRTYRGLU
13   ALATYRARGGLNLEUASPGLUPHEARGLYS
14   SERTHRALASERLEUGLUHISHISHISHIS
15   HISHIS

Samples:

sample_1: entity, [U-100% 13C; U-100% 15N], 1.0 mM

sample_2: entity, [U-50% 13C; U-50% 15N], 1.0 mM

sample_conditions_1: ionic strength: 100 mM; pH: 4.5; pressure: 1 atm; temperature: 298 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 CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH COSYsample_1isotropicsample_conditions_1
4,3D GFT HABCABCONHsample_1isotropicsample_conditions_1
3D sim NOESYsample_1isotropicsample_conditions_1
3D giltered NOESYsample_2isotropicsample_conditions_1

Software:

VNMR, Varian - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CYANA, Guntert, Mumenthaler and Wuthrich - data analysis

AutoAssign, Huang, Tejero, Powers and Montelione - chemical shift assignment

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Varian INOVA 750 MHz
  • Varian INOVA 600 MHz

Related Database Links:

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