Structure of PDB 5ixc Chain A Binding Site BS01

Receptor Information
>5ixc Chain A (length=684) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGEASTCWQLTVRVLEARNLRWADLLSEADPYVILQLSTAPGMKFKTKTL
TDTSHPVWNEAFRFLIQSQVKNVLELSIYDEDSVTEDDICFKVLYDISEV
LPGKLLRKTFSEEELDVEFLMEETSDRPENLITNKVIVARELSCLDVHLD
ELELVLKGSYEDTQTSFLGTASAFRFHYMAALETELSGRLAGYLTVPLRP
LTIGKEVTMDVPAPNAPGVRLQLKAEGCPEELAVHLGFNLCAEEQAFLSR
RKQVVAKALKQALQLDRDLQEDEVPVVGIMATGGGARAMTSLYGHLLALQ
KLGLLDCVTYFSGISGSTWTMAHLYGDPEWSQRDLEGPIRYAREHLAKSK
LEVFSPERLASYRRELELRAEQGHPTTFVDLWALVLESMLHGQVMDQKLS
GQRAALERGQNPLPLYLSLNVKEWVEFSPYEVGFLKYGAFVPPELFGSEF
FMGRLMRRIPEPRICFLEAIWSNIFSLNLLEASWLQPGTALAQAFKGFRS
PNFLQGLQLHQDYPKEPRLCLVDAAYFINTSSPSMFRPGRRLDLILSFDY
SLSAPFEALQQTELYCRARGLPFPRVEPSPQDQHQPRECHLFSDPACPEA
PILLHFPLVNASFKDHSAPGVQRSPAELQGGQVDLTGATCPYTLSNMTYK
EEDFERLLRLSDYNVQTSQGAILQALRTALKHRT
Ligand information
Ligand ID7FA
InChIInChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h7-8,10-11,13-14H,3-6,9,12,15-19H2,1-2H3/b8-7?,11-10-,14-13-/t23-/m1/s1
InChIKeyPYIHGLSRUVHCML-YMLCEXCJSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCC=CCC=CCC=CCCCCC[P](F)(=O)OC
OpenEye OEToolkits 2.0.4CCCCCC=CC/C=C\C/C=C\CCCCC[P@@](=O)(OC)F
CACTVS 3.385CCCCC\C=C/C/C=C\C\C=C/CCCCC[P@@](F)(=O)OC
OpenEye OEToolkits 2.0.4CCCCCC=CCC=CCC=CCCCCCP(=O)(OC)F
ACDLabs 12.01C(CCCC\C=C/C\C=C/C\C=C/CCCCC)P(F)(OC)=O
FormulaC19 H34 F O2 P
Namemethyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate
ChEMBL
DrugBank
ZINC
PDB chain5ixc Chain A Residue 901 [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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PDB5ixc Structure of Human GIVD Cytosolic Phospholipase A2 Reveals Insights into Substrate Recognition.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		G330 G331 S361 G362 F400 S528 I530 G582 L585 L768
Binding residue
(residue number reindexed from 1)		G284 G285 S315 G316 F354 S472 I474 G488 L491 L644
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) G330 G331 R333 S361 D647
Catalytic site (residue number reindexed from 1) G284 G285 R287 S315 D523
Enzyme Commision number 3.1.1.4: phospholipase A2.
Gene Ontology
Molecular Function
GO:0004620 phospholipase activity
GO:0004623 phospholipase A2 activity
GO:0005509 calcium ion binding
GO:0005544 calcium-dependent phospholipid binding
GO:0008970 phospholipase A1 activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0047498 calcium-dependent phospholipase A2 activity
Biological Process
GO:0006631 fatty acid metabolic process
GO:0006650 glycerophospholipid metabolic process
GO:0009395 phospholipid catabolic process
GO:0016042 lipid catabolic process
GO:0036148 phosphatidylglycerol acyl-chain remodeling
GO:0036149 phosphatidylinositol acyl-chain remodeling
GO:0046475 glycerophospholipid catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5ixc, PDBe:5ixc, PDBj:5ixc
PDBsum5ixc
PubMed27220631
UniProtQ86XP0|PA24D_HUMAN Cytosolic phospholipase A2 delta (Gene Name=PLA2G4D)

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