Structure of PDB 6new Chain A Binding Site BS02

Receptor Information
>6new Chain A (length=389) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIYEDLMRSKMTEYDKRCCCLREIQQTEEKYTDTLGSIQQHFLKPLQRFL
KPQDIEIIFINIEDLLRVHTHFLKEMKEALGTPGAANLYQVFIKYKERFL
VYGRYCSQVESASKHLDRVAAAREDVQMKLEECSQRANNGRFTLRDLLMV
PMQRVLKYHLLLQELVKHTQEAMEKENLRLALDAMRDLAQCVNEVKRDNE
TLRQITNFQLSIENLDQSLAHYGRPKIDGELKITSVERRSKMDRYAFLLD
KALLICKRRGDSYDLKDFVNLHSFQVRDDSSGDRDNKKWSHMFLLIEDQG
AQGYELFFKTRELKKKWMEQFEMAISNIYPENATANGHDFQMFSFEETTS
CKACQMLLRGTFYQGYRCHRCRASAHKECLGRVPPCGRH
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6new Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6new Allosteric Inhibitors of VAV1 Block Guanine Nucleotide Exchange Activity
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H516 C546 C549 C564
Binding residue
(residue number reindexed from 1)		H338 C368 C371 C386
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005085 guanyl-nucleotide exchange factor activity
Biological Process
GO:0035556 intracellular signal transduction

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Molecular Function
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Biological Process
External links
PDB RCSB:6new, PDBe:6new, PDBj:6new
PDBsum6new
PubMed
UniProtP15498|VAV_HUMAN Proto-oncogene vav (Gene Name=VAV1)

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