BMRB Entry 15354

Name: NMR Structure of protein Q60C73_METCA:Northeast Structural Genomics Consortium target McR1
Published: 2007-08-29

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PDB ID: 2js5
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR15354
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

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:

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

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: E. coli - cell free Vector: pet22

Entity Sequences (FASTA):

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

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	301
15N chemical shifts	71
1H chemical shifts	486

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	chain1	1
2	chain2	1

Entities:

Entity 1, chain1 142 residues - 16520.779 Da.

1

MET

SER

GLU

GLY

ALA

GLU

LEU

LYS

ALA

2

LYS

LEU

LYS

LEU

ASN

ALA

GLN

ALA

THR

3

ALA

LEU

LYS

MET

ASP

LEU

HIS

ASP

LEU

ALA

4

GLU

ASP

LEU

PRO

THR

GLY

TRP

ASN

ARG

ILE

5

MET

GLU

VAL

ALA

GLU

LYS

THR

TYR

GLU

ALA

6

TYR

ARG

GLN

LEU

ASP

GLU

PHE

ARG

LYS

SER

7

THR

ALA

SER

LEU

GLU

HIS

8

HIS

MET

SER

GLU

GLY

ALA

GLU

LEU

LYS

9

ALA

LYS

LEU

LYS

LEU

ASN

ALA

GLN

ALA

10

THR

ALA

LEU

LYS

MET

ASP

LEU

HIS

ASP

LEU

11

ALA

GLU

ASP

LEU

PRO

THR

GLY

TRP

ASN

ARG

12

ILE

MET

GLU

VAL

ALA

GLU

LYS

THR

TYR

GLU

13

ALA

TYR

ARG

GLN

LEU

ASP

GLU

PHE

ARG

LYS

14

SER

THR

ALA

SER

LEU

GLU

HIS

15

HIS

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:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH COSY	sample_1	isotropic	sample_conditions_1
4,3D GFT HABCABCONH	sample_1	isotropic	sample_conditions_1
3D sim NOESY	sample_1	isotropic	sample_conditions_1
3D giltered NOESY	sample_2	isotropic	sample_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