Structure of PDB 1atl Chain A Binding Site BS01

Receptor Information
>1atl Chain A (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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1atl Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1atl Structural interaction of natural and synthetic inhibitors with the venom metalloproteinase, atrolysin C (form d).
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H142 H146 H152
Binding residue
(residue number reindexed from 1)		H140 H144 H150
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:1atl, PDBe:1atl, PDBj:1atl
PDBsum1atl
PubMed8078901
UniProtP15167|VM1AD_CROAT Snake venom metalloproteinase atrolysin-D

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