Structure of PDB 1bk9 Chain A Binding Site BS02

Receptor Information
>1bk9 Chain A (length=124) Species: 8714 (Gloydius halys) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLIQFETLIMKVAKKSGMFWYSNYGCYCGWGGQGRPQDATDRCCFVHDCC
YGKVTGCDPKMDVYSFSEENGDIVCGGDDPCKKEICECDRAAAICFRDNL
TLYNDKKYWAFGAKNCPQEESEPC
Ligand information
Ligand IDPBP
InChIInChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKeyFKJSFKCZZIXQIP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385BrCC(=O)c1ccc(Br)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)CBr)Br
ACDLabs 12.01C(C(c1ccc(cc1)Br)=O)Br
FormulaC8 H6 Br2 O
Namep-Bromophenacyl bromide
ChEMBLCHEMBL142826
DrugBank
ZINCZINC000000028146
PDB chain1bk9 Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bk9 Structure of a snake venom phospholipase A2 modified by p-bromo-phenacyl-bromide.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F5 G30 H48 D49
Binding residue
(residue number reindexed from 1)		F5 G29 H47 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
Biological Process
GO:0006644 phospholipid metabolic process
GO:0016042 lipid catabolic process
GO:0035821 modulation of process of 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:1bk9, PDBe:1bk9, PDBj:1bk9
PDBsum1bk9
PubMed9663694
UniProtP14418|PA2A_GLOHA Acidic phospholipase A2

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