Structure of PDB 6r54 Chain A Binding Site BS01

Receptor Information
>6r54 Chain A (length=198) Species: 1496 (Clostridioides difficile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMDSTTIQQNKDTLSQIVVFPTGNYDKNEANAMVNRLANIDGKYLNAL
KQNNLKIKLLSGKLTDEKEYAYLKGVVPKGWEGTGKTWDDVPGLGGSTVA
LRIGFSNKGKGHDAINLELHETAHAIDHIVLNDISKSAQFKQIFAKEGRS
LGNVNYLGVYPAEFFAESFAYYYLNQDTNSKLKSACPQTYSFLQNLAK
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 chain6r54 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6r54 Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
Resolution1.417 Å
Binding residue
(original residue number in PDB)		H142 H146 E185
Binding residue
(residue number reindexed from 1)		H120 H124 E163
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.89: Pro-Pro endopeptidase.
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6r54, PDBe:6r54, PDBj:6r54
PDBsum6r54
PubMed31182482
UniProtQ183R7|PPEP1_CLOD6 Pro-Pro endopeptidase (Gene Name=zmp1)

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