Structure of PDB 3spc Chain A Binding Site BS01

Receptor Information
>3spc Chain A (length=327) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CRNRFVKKNGQCNVEFTNMDDKPDMFTTCVDIRWRYMLLLFSLAFLVSWL
LFGLIFWLIALIHGDLENPGGDDTFKPCVLQVNGFVAAFLFSIETQTTIG
YGFRCVTEECPLAVFMVVVQSIVGCIIDSFMIGAIMAKMARPKKRAQTLL
FSHNAVVAMRDGKLCLMWRVGNLRKSHIVEAHVRAQLIKPRITEEGEYIP
LDQIDIDVGFDKGLDRIFLVSPITILHEINEDSPLFGISRQDLETDDFEI
VVILEGMVEATAMTTQARSSYLASEILWGHRFEPVLFEEKNQYKVDYSHF
HKTYEVPSTPRCSAKDLVENKFLLSNS
Ligand information
Ligand IDP8P
InChIInChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1
InChIKeyMBDSUZSCJLRKPC-QGZVFWFLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2CCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC
ACDLabs 12.01O=P(O)(O)OP(=O)(OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCC)O
CACTVS 3.370CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[P](O)(O)=O)OC(=O)CCCCCCC
OpenEye OEToolkits 1.7.2CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC
CACTVS 3.370CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[P](O)(O)=O)OC(=O)CCCCCCC
FormulaC19 H38 O11 P2
Name(2R)-3-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate;
dioctanoylglycerol pyrophosphate
ChEMBLCHEMBL191055
DrugBank
ZINC
PDB chain3spc Chain A Residue 379 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3spc Structural basis of PIP(2) activation of the classical inward rectifier K(+) channel Kir2.2.
Resolution2.454 Å
Binding residue
(original residue number in PDB)		R78 W79 R80
Binding residue
(residue number reindexed from 1)		R33 W34 R35
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005242 inward rectifier potassium channel activity
Biological Process
GO:0006813 potassium ion transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3spc, PDBe:3spc, PDBj:3spc
PDBsum3spc
PubMed21874019
UniProtF1NHE9|KCJ12_CHICK ATP-sensitive inward rectifier potassium channel 12 (Gene Name=KCNJ12)

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