Structure of PDB 3cj9 Chain A Binding Site BS01

Receptor Information
>3cj9 Chain A (length=419) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PALKYGIVLDAGSSHTSMFVYKWPADKENDTGIVGQHSSCDVQGGGISSY
ANDPSKAGQSLVRCLEQALRDVPRDRHASTPLYLGATAGMRLLNLTSPEA
TARVLEAVTQTLTQYPFDFRGARILSGQDEGVFGWVTANYLLENFIKYGW
VGRWIRPRKGTLGAMDLGGASTQITFETTSPSEDPGNEVHLRLYGQHYRV
YTHSFLCYGRDQILLRLLASALQIHRFHPCWPKGYSTQVLLQEVYQSPCT
MGQRAIVSLSGTSNATLCRDLVSRLFNISSCPFSQCSFNGVFQPPVAGNF
IAFSAFYYTVDFLTTVMGLPVGTLKQLEEATEITCNQTWTELQARVPGQK
TRLADYCAVAMFIHQLLSRGYHFDERSFREVVFQKKAADTAVGWALGYML
NLTNLIPADLPGLRKGTHF
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3cj9 Chain A Residue 502 [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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PDB3cj9 Structural insight into signal conversion and inactivation by NTPDase2 in purinergic signaling
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G47 S48 T122 G204 A205
Binding residue
(residue number reindexed from 1)		G12 S13 T87 G169 A170
Annotation score3
Enzymatic activity
Enzyme Commision number 3.6.1.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:3cj9, PDBe:3cj9, PDBj:3cj9
PDBsum3cj9
PubMed18458329
UniProtO35795|ENTP2_RAT Ectonucleoside triphosphate diphosphohydrolase 2 (Gene Name=Entpd2)

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