BMRB Entry 18183

Name: Identification and structural basis for a novel interaction between Vav2 and Arap3
Published: 2012-11-19

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PDB ID: 2lnx
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18183
MolProbity Validation Chart

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

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Title: Identification and structural basis for a novel interaction between Vav2 and Arap3 PubMed: 22750419

Deposition date: 2012-01-05 Original release date: 2012-11-19

Authors: Wu, Bo; Zhang, Jiahai; Wu, Jihui; Shi, Yunyu

Citation: Wu, Bo; Wang, Fengsong; Zhang, Jiahai; Zhang, Zhiyong; Qin, Liying; Peng, Junhui; Li, Fudong; Liu, Jianping; Lu, Guowei; Gong, Qingguo; Yao, Xuebiao; Wu, Jihui; Shi, Yunyu. "Identification and structural basis for a novel interaction between Vav2 and Arap3" J. Struct. Biol. 180, 84-95 (2012).

Assembly members:
entity, polymer, 113 residues, 13480.319 Da.

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
entity: SRPPSREIDYTAYPWFAGNM ERQQTDNLLKSHASGTYLIR ERPAEAERFAISIKFNDEVK HIKVVEKDNWIHITEAKKFD SLLELVEYYQCHSLKESFKQ LDTTLKYPYKSRE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	431
15N chemical shifts	116
1H chemical shifts	821

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Vav2	1

Entities:

Entity 1, Vav2 113 residues - 13480.319 Da.

1

SER

ARG

PRO

SER

ARG

GLU

ILE

ASP

TYR

2

THR

ALA

TYR

PRO

TRP

PHE

ALA

GLY

ASN

MET

3

GLU

ARG

GLN

THR

ASP

ASN

LEU

LYS

4

SER

HIS

ALA

SER

GLY

THR

TYR

LEU

ILE

ARG

5

GLU

ARG

PRO

ALA

GLU

ALA

GLU

ARG

PHE

ALA

6

ILE

SER

ILE

LYS

PHE

ASN

ASP

GLU

VAL

LYS

7

HIS

ILE

LYS

VAL

GLU

LYS

ASP

ASN

TRP

8

ILE

HIS

ILE

THR

GLU

ALA

LYS

PHE

ASP

9

SER

LEU

GLU

LEU

VAL

GLU

TYR

GLN

10

CYS

HIS

SER

LEU

LYS

GLU

SER

PHE

LYS

GLN

11

LEU

ASP

THR

LEU

LYS

TYR

PRO

TYR

LYS

12

SER

ARG

GLU

Samples:

sample_1: entity, [U-13C; U-15N], 1 mM; DTT 5 mM; sodium chloride 75 mM; potassium phosphate 5 mM; sodium phosphate 20 mM; EDTA 1 mM; H2O 90%; D2O 10%

sample_2: entity, [U-13C; U-15N], 1 mM; sodium chloride 75 mM; DTT 5 mM; potassium phosphate 5 mM; sodium phosphate 20 mM; EDTA 1 mM; D2O 100%

Sample_condition_1: ionic strength: 100 mM; pH: 6.2; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	Sample_condition_1
3D CBCA(CO)NH	sample_1	isotropic	Sample_condition_1
3D HNCACB	sample_1	isotropic	Sample_condition_1
3D HNCO	sample_1	isotropic	Sample_condition_1
3D HCACO	sample_1	isotropic	Sample_condition_1
3D C(CO)NH	sample_1	isotropic	Sample_condition_1
3D H(CCO)NH	sample_1	isotropic	Sample_condition_1
3D HBHA(CO)NH	sample_1	isotropic	Sample_condition_1
3D 1H-15N NOESY	sample_1	isotropic	Sample_condition_1
3D HCCH-TOCSY	sample_2	isotropic	Sample_condition_1
3D HCCH-COSY	sample_2	isotropic	Sample_condition_1
3D 1H-13C NOESY	sample_2	isotropic	Sample_condition_1

Software:

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

SPARKY, Goddard - chemical shift assignment

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

Bruker DMX 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts