BMRB Entry 15836

Name: Solution NMR structure of protein encoded by MTH693 from Methanobacterium thermoautotrophicum: Northeast Structural Genomics Consortium target tt824a
Published: 2008-08-19

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PDB ID: 2k5h
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15836
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution NMR structure of protein encoded by MTH693 from Methanobacterium thermoautotrophicum: Northeast Structural Genomics Consortium target tt824a

Deposition date:

2008-06-27

Original release date:

2008-08-19

Authors:

Wu, Yibing; Singarapu, Kiran Kumar; Semesi, Anthony; Sukumaran, Dinesh; Yee, Adelinda; Garcia, Maite; Arrowsmith, Cheryl; Szyperski, Thomas

Citation:

Citation: Wu, Yibing; Singarapu, Kiran Kumar; Semesi, Anthony; Sukumaran, Dinesh; Yee, Adelinda; Garcia, Maite; Arrowsmith, Cheryl; Szyperski, Thomas. "Solution NMR structure of protein encoded by MTH693 from Methanobacterium thermoautotrophicum: Northeast Structural Genomics Consortium target tt824a" .

Assembly members:

Assembly members:
tt824a, polymer, 101 residues, 10932.419 Da.

Natural source:

Natural source: Common Name: Methanobacterium thermoautotrophicum Taxonomy ID: 145262 Superkingdom: Archaea Kingdom: not available Genus/species: Methanobacterium thermoautotrophicum

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: p11

Entity Sequences (FASTA):

Entity Sequences (FASTA):
tt824a: MGSSHHHHHHSSGRENLYFQ GHMAARITGEPSKKAVSDRL IGRKGVVMEAISPQNSGLVK VDGETWRATSGTVLDVGEEV SVKAIEGVKLVVEKLEEQKG S

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	374
15N chemical shifts	94
1H chemical shifts	617

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	tt824a	1

Entities:

Entity 1, tt824a 101 residues - 10932.419 Da.

1

MET

GLY

SER

HIS

2

SER

GLY

ARG

GLU

ASN

LEU

TYR

PHE

GLN

3

GLY

HIS

MET

ALA

ARG

ILE

THR

GLY

GLU

4

PRO

SER

LYS

ALA

VAL

SER

ASP

ARG

LEU

5

ILE

GLY

ARG

LYS

GLY

VAL

MET

GLU

ALA

6

ILE

SER

PRO

GLN

ASN

SER

GLY

LEU

VAL

LYS

7

VAL

ASP

GLY

GLU

THR

TRP

ARG

ALA

THR

SER

8

GLY

THR

VAL

LEU

ASP

VAL

GLY

GLU

VAL

9

SER

VAL

LYS

ALA

ILE

GLU

GLY

VAL

LYS

LEU

10

VAL

GLU

LYS

LEU

GLU

GLN

LYS

GLY

11

SER

Samples:

sample_1: entity, [U-100% 13C; U-100% 15N], 0.7 mM; H2O 90%; D2O, [U-100% 2H], 10%

sample_conditions_1: ionic strength: 0.3 M; pH: 7.0; 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
4,3D, GFT HNNCABCA	sample_1	isotropic	sample_conditions_1
4,3D, GFT CABCACONNH	sample_1	isotropic	sample_conditions_1
4,3D, GFT HCCH COSY	sample_1	isotropic	sample_conditions_1
3D, 15N-13C RESOLVEDSIMULTANIOUS NOESY	sample_1	isotropic	sample_conditions_1
4,3D, GFT HAHB(CABCA)CONNH	sample_1	isotropic	sample_conditions_1

Software:

AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

AutoStruct, Huang, Tejero, Powers and Montelione - structure solution

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

CYANA, Guntert, Mumenthaler and Wuthrich - refinement

XEASY, Bartels et al. - peak picking

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

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

Varian INOVA 750 MHz
Varian INOVA 600 MHz

PDB	2K5H
DBJ	BAM69871
GB	AAB85198
REF	WP_048060880