Structure of PDB 8dcm Chain C Binding Site BS03

Receptor Information
>8dcm Chain C (length=695) Species: 1496 (Clostridioides difficile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNGLMGYYFTDEHFKDLKLMAPIKDGNLKFEEKKVDKLLDKDKSDVKSIR
WTGRIIPSKDGEYTLSTDRDDVLMQVNTESTISNTLKVNMKKGKEYKVRI
ELQDKNLGSIDNLSSPNLYWELDGMKKIIPEENLFLRDYSNIEKDDPFIP
NNNFFDPKLMSDWEDEDLDTDNDNIPDSYERNGYTIKDLIAVKWEDSFAE
QGYKKYVSNYLESNTAGDPYTDYEKASGSFDKAIKTEARDPLVAAYPIVG
VGMEKLIISTNEHASTDQGKTVSRATTNSKTESNTAGVSVNVGYQNGFTA
NVTTNYSHTTDNSTAVQDSNGESWNTGLSINKGESAYINANVRYYNTGTA
PMYKVTPTTNLVLDGDTLSTIKAQENQIGNNLSPGDTYPKKGLSPLALNT
MDQFSSRLIPINYDQLKKLDAGKQIKLETTQVSGNFGTKNSSGQIVTEGN
SWSDYISQIDSISASIILDTENESYERRVTAKNLQDPEDKTPELTIGEAI
EKAFGATKKDGLLYFNDIPIDESCVELIFDDNTANKIKDSLKTLSDKKIY
NVKLERGMNILIKTPTYFTNFDDYNNYPSTWSNVNTTNQDGLQGSANKLN
GETKIKIPMSELKPYKRYVFSGYSKDPLTSNSIIVKIKAKEEKTDYLVPE
QGYTKFSYEFETTEKDSSNIEITLIGSGTTYLDNLSITELNSTPE
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 chain8dcm Chain C Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8dcm Structural Basis for Binding of Neutralizing Antibodies to Clostridioides difficile Binary Toxin.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N621 D623 Q644 S646 D734
Binding residue
(residue number reindexed from 1)		N570 D572 Q593 S595 D683
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0051260 protein homooligomerization
Cellular Component
GO:0005576 extracellular region

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Biological Process
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Cellular Component
External links
PDB RCSB:8dcm, PDBe:8dcm, PDBj:8dcm
PDBsum8dcm
PubMed36951574
UniProtA8DS70

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