Structure of PDB 1iab Chain A Binding Site BS01

Receptor Information
>1iab 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 IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain1iab 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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PDB1iab Crystal structures, spectroscopic features, and catalytic properties of cobalt(II), copper(II), nickel(II), and mercury(II) derivatives of the zinc endopeptidase astacin. A correlation of structure and proteolytic activity.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		H92 H96 H102 Y149
Binding residue
(residue number reindexed from 1)		H92 H96 H102 Y149
Annotation score3
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:1iab, PDBe:1iab, PDBj:1iab
PDBsum1iab
PubMed8006015
UniProtP07584|ASTA_ASTAS Astacin

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