BMRB Entry 16389

Name: Solution NMR structure of protein of unknown function (NP_247299.1) from Methanococcus jannaschii
Published: 2011-05-19

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PDB ID: 2kla
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16389
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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 of unknown function (NP_247299.1) from Methanococcus jannaschii

Deposition date:

2009-06-30

Original release date:

2011-05-19

Authors:

Jaudzems, Kristaps; Mohanty, Biswaranjan; Geralt, Michael; Serrano, Pedro; Wilson, Ian; Wuthrich, Kurt

Citation:

Citation: Jaudzems, Kristaps; Geralt, Michael; Serrano, Pedro; Mohanty, Biswaranjan; Horst, Reto; Pedrini, Bill; Elsliger, Marc Andre; Wilson, Ian; Wuthrich, Kurt. "NMR structure of the protein NP_247299.1: comparison with the crystal structure." Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun. 66, 1367-1380 (2010).
PubMed: 20944234

Assembly members:

Assembly members:
NP_247299.1, polymer, 106 residues, 12109.914 Da.

Natural source:

Natural source: Common Name: Methanococcus jannaschii Taxonomy ID: 2190 Superkingdom: Archaea Kingdom: not available Genus/species: Methanococcus jannaschii

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
NP_247299.1: GHMINMKVAISMDVDKISNS FEDCKYFLIVRIDDNEVKST KVIFNDESGKKSIVKENVNA IICKNISEENYKKFSKKIEI YHAEGDDVDKNISLFIEGEL SKISNP

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	367
15N chemical shifts	113
1H chemical shifts	781

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	NP_247299.1	1

Entities:

Entity 1, NP_247299.1 106 residues - 12109.914 Da.

1

GLY

HIS

MET

ILE

ASN

MET

LYS

VAL

ALA

ILE

2

SER

MET

ASP

VAL

ASP

LYS

ILE

SER

ASN

SER

3

PHE

GLU

ASP

CYS

LYS

TYR

PHE

LEU

ILE

VAL

4

ARG

ILE

ASP

ASN

GLU

VAL

LYS

SER

THR

5

LYS

VAL

ILE

PHE

ASN

ASP

GLU

SER

GLY

LYS

6

LYS

SER

ILE

VAL

LYS

GLU

ASN

VAL

ASN

ALA

7

ILE

CYS

LYS

ASN

ILE

SER

GLU

ASN

8

TYR

LYS

PHE

SER

LYS

ILE

GLU

ILE

9

TYR

HIS

ALA

GLU

GLY

ASP

VAL

ASP

LYS

10

ASN

ILE

SER

LEU

PHE

ILE

GLU

GLY

GLU

LEU

11

SER

LYS

ILE

SER

ASN

PRO

Samples:

sample_1: entity, [U-98% 13C; U-98% 15N], 0.9 mM; sodium phosphate 20 mM; DTT 1 mM; sodium azide 0.03%; H2O 95%; H2O 5%

sample_conditions_1: ionic strength: 0.029 M; pH: 6.5; pressure: 1 atm; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D [15N,1H]-HSQC	sample_1	isotropic	sample_conditions_1
5D APSY-HACACONH	sample_1	isotropic	sample_conditions_1
4D APSY-HACANH	sample_1	isotropic	sample_conditions_1
5D APSY-CBCACONH	sample_1	isotropic	sample_conditions_1
3D 15N-RESOLVED [1H,1H]-NOESY	sample_1	isotropic	sample_conditions_1
3D 13C(aliphatic)-RESOLVED [1H,1H]-NOESY	sample_1	isotropic	sample_conditions_1
3D 13C(aromatic)-RESOLVED [1H,1H]-NOESY	sample_1	isotropic	sample_conditions_1

Software:

CYANA v3.0, P.GUNTERT ET AL. - structure solution

OPAL, Luginbuhl, Guntert, Billeter and Wuthrich - refinement

TOPSPIN, Bruker Biospin - collection, processing

Molmol, Koradi, Billeter and Wuthrich - data analysis

UNIO v1.0.2, T. Herrmann, F. Fiorito, J. Volk - chemical shift assignment, peak picking, structure solution

CARA v1.8.4, Keller - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz

PDB	2KLA 2QTD
GB	AAB98315
SP	Q57773
AlphaFold	Q57773