Structure of PDB 3dsl Chain B Binding Site BS04

Receptor Information
>3dsl Chain B (length=412) Species: 8724 (Bothrops jararaca) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYNPFRYVELFIVVDQGMVTKNNGDLDKIKARMYELANIVNEILRYLYMH
AALVGLEIWSNGDKITVKPDVDYTLNSFAEWRKTDLLTRKKHDNAQLLTA
IDFNGPTIGYAYIGSMCHPKRSVAIVEDYSPINLVVAVIMAHEMGHNLGI
HHDTDFCSCGDYPCIMGPTISNEPSKFFSNCSYIQCWDFIMKENPQCILN
EPLGTDIVSPPVCGNELLEVGEECDCGTPENCQNECCDAATCKLKSGSQC
GHGDCCEQCKFSKSGTECRASMSECDPAEHCTGQSSECPADVFHKNGQPC
LDNYGYCYNGNCPIMYHQCYALFGADVYEAEDSCFKDNQKGNYYGYCRKE
NGKKIPCAPEDVKCGRLYCKDNSPGQNNPCKMFYSNDDEHKGMVLPGTKC
ADGKVCSNGHCV
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 chain3dsl Chain B Residue 423 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3dsl The three-dimensional structure of bothropasin, the main hemorrhagic factor from Bothrops jararaca venom: Insights for a new classification of snake venom metalloprotease subgroups.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		V215 N218 L220 E222 E225 D228
Binding residue
(residue number reindexed from 1)		V212 N215 L217 E219 E222 D225
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.49: bothropasin.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3dsl, PDBe:3dsl, PDBj:3dsl
PDBsum3dsl
PubMed18831982
UniProtO93523|VM3BP_BOTJA Zinc metalloproteinase-disintegrin-like bothropasin

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