Structure of PDB 5j72 Chain B Binding Site BS02

Receptor Information
>5j72 Chain B (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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5j72 Chain B Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		T590 L591
Binding residue
(residue number reindexed from 1)		T581 L582
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

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

[Back to BioLiP]