BMRB Entry 18182

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

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PDB ID: 2lnw
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18182
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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:

Identification and structural basis for a novel interaction between Vav2 and Arap3

Deposition date:

2012-01-05

Original release date:

2012-11-19

Authors:

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

Citation:

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).
PubMed: 22750419

Assembly members:

Assembly members:
entity_1, polymer, 113 residues, 13480.319 Da.
entity_2, polymer, 9 residues, 1130.064 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SRPPSREIDYTAYPWFAGNM ERQQTDNLLKSHASGTYLIR ERPAEAERFAISIKFNDEVK HIKVVEKDNWIHITEAKKFD SLLELVEYYQCHSLKESFKQ LDTTLKYPYKSRE
entity_2: EEPVXEEVG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	455
15N chemical shifts	111
1H chemical shifts	884

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Vav2	1
2	Arap3	2

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

Entity 2, Arap3 9 residues - 1130.064 Da.

1

GLU

PRO

VAL

PTR

GLU

VAL

GLY

Samples:

sample_1: entity_1, [U-100% 13C; U-100% 15N], 1 mM; entity_2 3 mM; potassium phosphate 5 mM; sodium phosphate 20 mM; DTT 5 mM; EDTA 2 mM; sodium chloride 75 mM; H2O 90%; D2O 10%

sample_2: entity_1, [U-100% 13C; U-100% 15N], 1 mM; entity_2 3 mM; potassium phosphate 5 mM; sodium chloride 75 mM; DTT 5 mM; EDTA 2 mM; sodium phosphate 20 mM; D2O 100%

sample_conditions_1: ionic strength: 100 mM; pH: 6.2; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 100 mM; pH: 6.2; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HCACO	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_2
3D HCCH-COSY	sample_2	isotropic	sample_conditions_2
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_2

Software:

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

SPARKY, Goddard - chemical shift assignment

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift calculation

NMR spectrometers:

Bruker DMX 600 MHz

BMRB	18183
PDB	2DLZ 2LNW 2LNX 4ROJ
DBJ	BAJ17841
EMBL	CAE45861 CAH89854
GB	AAB34377 AAH33187 AAI32966 AAI32968 EAW88108
REF	NP_001124861 NP_001127870 NP_001252562 NP_003362 XP_003911174
SP	P52735
AlphaFold	P52735 D3DQE3