Structure of PDB 1zl7 Chain A Binding Site BS01

Receptor Information
>1zl7 Chain A (length=122) Species: 8726 (Bothrops jararacussu) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLWQFGKMINYVMGESGVLQYLSYGCYCGLGGQGQPTDATDRCCFVHDCC
YGKVTGCNPKIDSYTYSKKNGDVVCGGDNPCKKQICECDRVATTCFRDNK
DTYDIKYWFYGAKNCQEKSEPC
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 chain1zl7 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1zl7 Insights into metal ion binding in phospholipases A(2): ultra high-resolution crystal structures of an acidic phospholipase A(2) in the Ca(2+) free and bound states.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Y27 L30 G31 G32 D48
Binding residue
(residue number reindexed from 1)		Y27 L30 G31 G32 D48
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y27 G29 G31 H47 D48 Y51 Y64 D89
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
Biological Process
GO:0006644 phospholipid metabolic process
GO:0008217 regulation of blood pressure
GO:0016042 lipid catabolic process
GO:0035821 modulation of process of another organism
GO:0042742 defense response to bacterium
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:1zl7, PDBe:1zl7, PDBj:1zl7
PDBsum1zl7
PubMed16376474
UniProtQ8AXY1|PA2A_BOTJR Acidic phospholipase A2 BthA-1

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