Structure of PDB 6ht9 Chain C Binding Site BS01

Receptor Information
>6ht9 Chain C (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 chain6ht9 Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ht9 Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition.
Resolution3.1 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
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:6ht9, PDBe:6ht9, PDBj:6ht9
PDBsum6ht9
PubMed30867929
UniProtP07584|ASTA_ASTAS Astacin

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