BMRB Entry 16476

Name: Solution structure of protein Atu0922 from A. tumefaciens. Northeast Structural Genomics Consortium target AtT13. Ontario Center for Structural Proteomics target ATC0905.
Published: 2009-11-04

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PDB ID: 2knr
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16476
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of protein Atu0922 from A. tumefaciens. Northeast Structural Genomics Consortium target AtT13. Ontario Center for Structural Proteomics target ATC0905.

Deposition date:

2009-09-02

Original release date:

2009-11-04

Authors:

Gutmanas, Aleksandras; Yee, Adelinda; Lemak, Alexander; Fares, Christophe; Semesi, Anthony; Arrowsmith, Cheryl

Citation:

Citation: Gutmanas, Aleksandras; Lemak, Alexander; Yee, Adelinda; Semesi, Anthony; Fares, Christophe; Arrowsmith, Cheryl. "Solution NMR structure of protein atc0905 from A. tumefaciens." To be published ., .-..

Assembly members:

Assembly members:
ATC0905, polymer, 121 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Agrobacterium tumefaciens Taxonomy ID: 358 Superkingdom: Bacteria Kingdom: not available Genus/species: Agrobacterium tumefaciens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: p15Tv lic

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ATC0905: QGHMRLKSEMFVSALIRRVF AAGGFAAVEKKGAEAAGAIF VRQRLRDGRENLYGPAPQSF ADDEDIMRAERRFETRLAGV EGEEIAALLERERRFDSDLW VVEIETDEIGTLLTLVDQPQ A

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	514
15N chemical shifts	122
1H chemical shifts	829

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ATC0905	1

Entities:

Entity 1, ATC0905 121 residues - Formula weight is not available

1

GLN

GLY

HIS

MET

ARG

LEU

LYS

SER

GLU

MET

2

PHE

VAL

SER

ALA

LEU

ILE

ARG

VAL

PHE

3

ALA

GLY

PHE

ALA

VAL

GLU

LYS

4

LYS

GLY

ALA

GLU

ALA

GLY

ALA

ILE

PHE

5

VAL

ARG

GLN

ARG

LEU

ARG

ASP

GLY

ARG

GLU

6

ASN

LEU

TYR

GLY

PRO

ALA

PRO

GLN

SER

PHE

7

ALA

ASP

GLU

ASP

ILE

MET

ARG

ALA

GLU

8

ARG

PHE

GLU

THR

ARG

LEU

ALA

GLY

VAL

9

GLU

GLY

GLU

ILE

ALA

LEU

GLU

10

ARG

GLU

ARG

PHE

ASP

SER

ASP

LEU

TRP

11

VAL

GLU

ILE

GLU

THR

ASP

GLU

ILE

GLY

12

THR

LEU

THR

LEU

VAL

ASP

GLN

PRO

GLN

13

ALA

Samples:

sample: ATC0905, [U-100% 13C; U-100% 15N], 1 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; DTT 10 mM; benzamidine 1 uM; Roche inhibitor coctail 1 x; D2O 10%; H2O 90%

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample	isotropic	sample_conditions_1
3D HNCO	sample	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample	isotropic	sample_conditions_1
3D HNCA	sample	isotropic	sample_conditions_1
3D 1H-13C arom NOESY	sample	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample	isotropic	sample_conditions_1
3D 1H-13C aliph NOESY	sample	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample	isotropic	sample_conditions_1
3D H(C)CH-TOCSY aliphatic	sample	isotropic	sample_conditions_1
3D CCH-TOCSY aliphatic	sample	isotropic	sample_conditions_1
2D 1H-13C HSQC CT	sample	isotropic	sample_conditions_1
2D 1H-13C HSQC arom	sample	isotropic	sample_conditions_1
2D HBCBCGCDHD	sample	isotropic	sample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

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

TOPSPIN, Bruker Biospin - collection

VNMRJ, Varian - collection

ABACUS, Lemak, A - chemical shift assignment

MDDNMR, Orekhov, V. Yu. - processing

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

Analysis, CCPN - data analysis, peak picking

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

NMR spectrometers:

Bruker Avance 800 MHz
Varian INOVA 600 MHz
Bruker Avance 600 MHz

PDB	2KNR
GB	AAK86727 EGL65971 KEY55322 KJX89147
REF	NP_353942 WP_006311220 WP_010971254