Structure of PDB 1it4 Chain A Binding Site BS01

Receptor Information
>1it4 Chain A (length=122) Species: 1935 (Streptomyces violaceoruber) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APADKPQVLASFTQTSASSQNAWLAANRNQSAWAAYEFDWSTDLCTQAPD
NPFGFPFNTACARHDFGYRNYKAAGSFDANKSRIDSAFYEDMKRVCTGYT
GEKNTACNSTAWTYYQAVKIFG
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 chain1it4 Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1it4 A novel prokaryotic phospholipase A2. Characterization, gene cloning, and solution structure.
ResolutionN/A
Binding residue
(original residue number in PDB)		D43 L44 D65
Binding residue
(residue number reindexed from 1)		D43 L44 D65
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D43 L44 H64 D65 D85
Catalytic site (residue number reindexed from 1) D43 L44 H64 D65 D85
Enzyme Commision number 3.1.1.4: phospholipase A2.
Gene Ontology
Molecular Function
GO:0004623 phospholipase A2 activity
GO:0046872 metal ion binding
Biological Process
GO:0006644 phospholipid metabolic process
GO:0050482 arachidonate secretion

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Molecular Function
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Biological Process
External links
PDB RCSB:1it4, PDBe:1it4, PDBj:1it4
PDBsum1it4
PubMed11897786
UniProtQ6UV28

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