Structure of PDB 1ast Chain A Binding Site BS01

Receptor Information
>1ast Chain A (length=200) Species: 6715 (Astacus astacus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAILGDEYLWSGGVIPYTFAGVSGADQSAILSGMQELEEKTCIRFVPRTT
ESDYVEIFTSGSGCWSYVGRISGAQQVSLQANGCVYHGTIIHELMHAIGF
YHEHTRMDRDNYVTINYQNVDPSMTSNFDIDTYSRYVGEDYQYYSIMHYG
KYSFSIQWGVLETIVPLQNGIDLTDPYDKAHMLQTDANQINNLYTNECSL
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 chain1ast Chain A Residue 999 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ast Structure of astacin and implications for activation of astacins and zinc-ligation of collagenases.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H92 H96 H102 Y149
Binding residue
(residue number reindexed from 1)		H92 H96 H102 Y149
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H92 E93 H96 H102 Y149
Catalytic site (residue number reindexed from 1) H92 E93 H96 H102 Y149
Enzyme Commision number 3.4.24.21: astacin.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:1ast, PDBe:1ast, PDBj:1ast
PDBsum1ast
PubMed1319561
UniProtP07584|ASTA_ASTAS Astacin

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