Structure of PDB 2qog Chain B Binding Site BS01

Receptor Information
>2qog Chain B (length=122) Species: 8732 (Crotalus durissus terrificus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HLLQFNKMIKFETRKNAIPFYAFYGCYCGWGGRGRPKDATDRCCFVHDCC
YGKLAKCNTKWDIYPYSLKSGYITCGKGTWCEEQICECDRVAAECLRRSL
STYKYGYMFYPDSRCRGPSETC
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2qog Chain B Residue 134 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qog Insights into the role of oligomeric state on the biological activities of crotoxin: crystal structure of a tetrameric phospholipase A2 formed by two isoforms of crotoxin B from Crotalus durissus terrificus venom.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		Y28 G30 G32 D49
Binding residue
(residue number reindexed from 1)		Y27 G29 G31 D48
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y28 G30 G32 H48 D49 Y52 Y73 D99
Catalytic site (residue number reindexed from 1) Y27 G29 G31 H47 D48 Y51 Y64 D89
Enzyme Commision number 3.1.1.4: phospholipase A2.
Gene Ontology
Molecular Function
GO:0004623 phospholipase A2 activity
GO:0005509 calcium ion binding
GO:0005543 phospholipid binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0047498 calcium-dependent phospholipase A2 activity
GO:0090729 toxin activity
GO:0099106 ion channel regulator activity
Biological Process
GO:0006644 phospholipid metabolic process
GO:0016042 lipid catabolic process
GO:0042130 negative regulation of T cell proliferation
GO:0044398 envenomation resulting in induction of edema in another organism
GO:0044478 envenomation resulting in positive regulation of platelet aggregation in another organism
GO:0044521 envenomation resulting in muscle damage in another organism
GO:0044522 envenomation resulting in myocyte killing in another organism
GO:0050482 arachidonate secretion
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2qog, PDBe:2qog, PDBj:2qog
PDBsum2qog
PubMed18275084
UniProtP62022|PA2BC_CRODU Phospholipase A2 crotoxin basic subunit CBc

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