Structure of PDB 3r0l Chain D Binding Site BS01

Receptor Information
>3r0l Chain D (length=122) Species: 8732 (Crotalus durissus terrificus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HLLQFNKMIKFETRKNAVPFYAFYGCYCGWGGQGRPKDATDRCCFVHDCC
YGKLAKCNTKWDIYRYSLKSGYITCGKGTWCEEQICECDRVAAECLRRSL
STYKNGYMFYPDSRCRGPSETC
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3r0l Chain D Residue 123 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3r0l Crystal Structure of Crotoxin Reveals Key Residues Involved in the Stability and Toxicity of This Potent Heterodimeric Beta-Neurotoxin
Resolution1.35 Å
Binding residue
(original residue number in PDB)		D62 E82
Binding residue
(residue number reindexed from 1)		D62 E82
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
GO:0099106 ion channel regulator activity
Biological Process
GO:0006644 phospholipid metabolic process
GO:0016042 lipid catabolic process
GO:0035821 modulation of process of another organism
GO:0042130 negative regulation of T cell 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:3r0l, PDBe:3r0l, PDBj:3r0l
PDBsum3r0l
PubMed21787789
UniProtP0CG56|PA2BB_CRODU Phospholipase A2 crotoxin basic subunit CBb

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