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Receptor Information

>6nf1 Chain A (length=550) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GSELWRQCTHWLIQCRVLPPSHRVTWDGAQVCELAQALRDGVLLCQLLNN
LLPHAINLREVNLRPQMSQFLCLKNIRTFLSTCCEKFGLKRSELFEAFDL
FDVQDFGKVIYTLSALSWTPIAQNRGIMPFPTEEDIYSGLSDQIDDTEDE
DLYDCVENEEAEGDEIYEDLMRSEPKMTEYDKRCCCLREIQQTEEKYTDT
LGSIQQHFLKPLQRFLKPQDIEIIFINIEDLLRVHTHFLKEMKEALGTPG
AANLYQVFIKYKERFLVYGRYCSQVESASKHLDRVAAAREDVQMKLEECS
QRANNGRFTLRDLLMVPMQRVLKYHLLLQELVKHTQEAMEKENLRLALDA
MRDLAQCVNEVKRDNETLRQITNFQLSIENLDQSLAHYGRPKIDGELKIT
SVERRSKMDRYAFLLDKALLICKRRGDSYDLKDFVNLHSFQVRDDSSDNK
KWSHMFLLIEDQGAQGYELFFKTRELKKKWMEQFEMAISNIYPENATANG
HDFQMFSFEETTSCKACQMLLRGTFYQGYRCHRCRASAHKECLGRVPPCG

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

6nf1 Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6nf1 Allosteric Inhibitors of VAV1 Block Guanine Nucleotide Exchange Activity
Resolution	2.6 Å
Binding residue (original residue number in PDB)	C529 C532 H554 C557
Binding residue (residue number reindexed from 1)	C514 C517 H539 C542
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0005085	guanyl-nucleotide exchange factor activity

	Biological Process
GO:0035556	intracellular signal transduction

PDB	RCSB:6nf1, PDBe:6nf1, PDBj:6nf1
PDBsum	6nf1
PubMed
UniProt	P15498\|VAV_HUMAN Proto-oncogene vav (Gene Name=VAV1)

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Structure of PDB 6nf1 Chain A Binding Site BS02