Structure of PDB 1m8t Chain E Binding Site BS01

Receptor Information
>1m8t Chain E (length=119) Species: 8665 (Ophiophagus hannah) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HLVQFNGMIRCTIPGSIPWWDYSDYGCYCGSGGSGTPVDELDRCCQVHDN
CYTQAQQLTECSPYSKRYSYDCSEGTLTCKADNDECAAFVCDCDRVAAIC
FAGAPYNKENINIDTTTRC
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 chain1m8t Chain E Residue 1005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1m8t Structure of a king cobra phospholipase A2 determined from a hemihedrally twinned crystal.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y28 G30 G32 D49
Binding residue
(residue number reindexed from 1)		Y28 G30 G32 D49
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) Y28 G30 G32 H48 D49 Y52 Y68 D94
Enzyme Commision number 3.1.1.4: phospholipase A2.
Gene Ontology
Molecular Function
GO:0004623 phospholipase A2 activity
GO:0005102 signaling receptor binding
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
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0006644 phospholipid metabolic process
GO:0016042 lipid catabolic process
GO:0035821 modulation of process of another organism
GO:0048146 positive regulation of fibroblast proliferation
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:1m8t, PDBe:1m8t, PDBj:1m8t
PDBsum1m8t
PubMed12925787
UniProtQ9DF33|PA2A2_OPHHA Acidic phospholipase A2 2

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