BMRB Entry 15585

Name: Solution structure of protein ATU1810 from Agrobacterium tumefaciens; Northeast Structural Genomics Target AtR23; Ontario Center for Structural Proteomics Target ATC1776
Published: 2009-04-23

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PDB ID: 2jya
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15585
MolProbity Validation Chart

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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:

Solution structure of protein ATU1810 from Agrobacterium tumefaciens; Northeast Structural Genomics Target AtR23; Ontario Center for Structural Proteomics Target ATC1776

Deposition date:

2007-12-07

Original release date:

2009-04-23

Authors:

Lemak, Alexander; Yee, Adelinda; Gutmanas, Aleksandras; Fares, Christophe; Karra, Murphy; Semesi, Antony; Arrowsmith, Cheryl

Citation:

Citation: Lemak, Alexander; Yee, Adelinda; Gutmanas, Aleksandras; Fares, Christophe; Karra, Murphy; Semesi, Antony; Arrowsmith, Cheryl. "Solution structure of protein ATU1810 form Agrobacterium tumefaciens" .

Assembly members:

Assembly members:
Atu1810, polymer, 106 residues, 9116.552 Da.

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: P11

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Atu1810: QGHMSAKIYRPAKTAMQSGT AKTNVWVLEFDAEVPRKIDP IMGYTSSSDMKQQVKLTFET QEQAEAYAQRKGIEYRVILP KEATRKVVSYTDNFRFNRTQ PWTHGS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	416
15N chemical shifts	100
1H chemical shifts	669
residual dipolar couplings	71

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Atu1810	1

Entities:

Entity 1, Atu1810 106 residues - 9116.552 Da.

1

GLN

GLY

HIS

MET

SER

ALA

LYS

ILE

TYR

ARG

2

PRO

ALA

LYS

THR

ALA

MET

GLN

SER

GLY

THR

3

ALA

LYS

THR

ASN

VAL

TRP

VAL

LEU

GLU

PHE

4

ASP

ALA

GLU

VAL

PRO

ARG

LYS

ILE

ASP

PRO

5

ILE

MET

GLY

TYR

THR

SER

ASP

MET

6

LYS

GLN

VAL

LYS

LEU

THR

PHE

GLU

THR

7

GLN

GLU

GLN

ALA

GLU

ALA

TYR

ALA

GLN

ARG

8

LYS

GLY

ILE

GLU

TYR

ARG

VAL

ILE

LEU

PRO

9

LYS

GLU

ALA

THR

ARG

LYS

VAL

SER

TYR

10

THR

ASP

ASN

PHE

ARG

PHE

ASN

ARG

THR

GLN

11

PRO

TRP

THR

HIS

GLY

SER

Samples:

sample_1: Atu1810, [U-13C; U-15N], 0.5 mM; TRIS 10 mM; sodium chloride 300 mM; sodium azide 0.1%; benzamidine 10 mM; D2O, [U-100% 2H], 10%; H2O 90%

sample_2: Atu1810, [U-13C; U-15N], 0.5 mM; TRIS 10 mM; sodium chloride 300 mM; sodium azide 0.1%; benzamidine 10 mM; D2O, [U-100% 2H], 100%

sample_conditions_1: ionic strength: 300 mM; 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_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D (H)C(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY_aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY_aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC(IPAP)	sample_1	anisotropic	sample_conditions_1
3D TROSY-HNCO	sample_1	anisotropic	sample_conditions_1

Software:

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

SPARKY, Goddard - peak picking

TALOS, Cornilescu, Delaglio and Bax - structure solution

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

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz
Bruker Avance 500 MHz

PDB	2JYA
EMBL	CDI08717 CDN94390
GB	AAK87578 ADY64758 AHK01663 AKC07510 EGL63649
REF	NP_354793 WP_003495468 WP_003507982 WP_004442361 WP_006314275