Structure of PDB 1htd Chain B Binding Site BS02

Receptor Information
>1htd Chain B (length=200) Species: 8730 (Crotalus atrox) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPQRYIELVVVADHRVFMKYNSDLNTIRTRVHEIVNFINGFYRSLNIHVS
LTDLEIWSNEDQINIQSASSDTLNAFAEWRETDLLNRKSHDNAQLLTAIE
LDEETLGLAPLGTMCDPKLSIGIVQDHSPINLLMGVTMAHELGHNLGMEH
DGKDCLRGASLCIMRPGLTKGRSYEFSDDSMHYYERFLKQYKPQCILNKP
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 chain1htd Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1htd Structural interaction of natural and synthetic inhibitors with the venom metalloproteinase, atrolysin C (form d).
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E9 D93 C197 N200
Binding residue
(residue number reindexed from 1)		E7 D91 C195 N198
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.42: atrolysin C.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:1htd, PDBe:1htd, PDBj:1htd
PDBsum1htd
PubMed8078901
UniProtP15167|VM1AD_CROAT Snake venom metalloproteinase atrolysin-D

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