Structure of PDB 5j72 Chain A Binding Site BS02

Receptor Information
>5j72 Chain A (length=638) Species: 272563 (Clostridioides difficile 630) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDININLQRKSVVLGSKSNASVKFKEKLNADSITLNFMCYDMPLEATLNY
NEKTDSYEGVINYNKDPEYLNVWELQSIKINGKDEQKVLNKEDLESMGLN
LKDYDVTQEFIISDANSTKAVNEYMRKTSAPVKKLAGATRFETAVEISKQ
GWKDGSSKVVIVNGELAADGITATPLASTYDAPILLANKDDIPESTKAEL
KRLNPSDVIIIGDDGSVSQKAVSQIKSAVNVNVTRIGGVDRHETSLLIAK
EIDKYHDVNKIYIANGYAGEYDALNISSKAGEDQQPIILANKDSVPQGTY
NWLSSQGLEEAYYIGGSQSLSSKIIDQISKIAKNGTSKNRVSGADRHETN
ANVIKTFYPDKELSAMLVAKSDIIVDSITAGPLAAKLKAPILITPKTYVS
AYHSTNLSEKTAETVYQIGDGMKDSVINSIASSLSKHNAPTEPDNSGSAA
GKTVVIDPGHGGSDSGATSGLNGGAQEKKYTLNTALATTEYLRSKGINVV
MTRDTDKTMALGERTALSNTIKPDLFTSIHYNASNGSGNGVEIYYKVKDK
NGGTTKTAASNILKRILEKFNMKNRGIKTRTLDNGKDYLYVLRNNNYPAI
LVECAFIDNKSDMDKLNTAEKVKTMGTQIGIGIEDTVK
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 chain5j72 Chain A Residue 707 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5j72 The CWB2 Cell Wall-Anchoring Module Is Revealed by the Crystal Structures of the Clostridium difficile Cell Wall Proteins Cwp8 and Cwp6.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H469 E486 H539
Binding residue
(residue number reindexed from 1)		H460 E477 H530
Annotation score4
Enzymatic activity
Enzyme Commision number 3.5.1.28: N-acetylmuramoyl-L-alanine amidase.
Gene Ontology
Molecular Function
GO:0008745 N-acetylmuramoyl-L-alanine amidase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0009253 peptidoglycan catabolic process
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5j72, PDBe:5j72, PDBj:5j72
PDBsum5j72
PubMed28132783
UniProtQ183L9

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