Structure of PDB 7vnn Chain D Binding Site BS02

Receptor Information
>7vnn Chain D (length=641) Species: 1496 (Clostridioides difficile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WEDEDLDTDNDNIPDSYERNGYTIKDLIAVKWEDSFAEQGYKKYVSNYLE
SNTAGDPYTDYEKASGSFDKAIKTEARDPLVAAYPIVGVGMEKLIISTNE
HASTDQGKTVSRATTNSKTESNTHTTDNSTAVQDSNGESWNTGLSINKGE
SAYINANVRYYNTGTAPMYKVTPTTNLVLDGDTLSTIKAQENQIGNNLSP
GDTYPKKGLSPLALNTMDQFSSRLIPINYDQLKKLDAGKQIKLETTQVSG
NFGTKNSSGQIVTEGNSWSDYISQIDSISASIILDTENESYERRVTAKNL
QDPEDKTPELTIGEAIEKAFGATKKDGLLYFNDIPIDESCVELIFDDNTA
NKIKDSLKTLSDKKIYNVKLERGMNILIKTPTYFTNFDDYNNYPSTWSNV
NTTNQDGLQGSANKLNGETKIKIPMSELKPYKRYVFSGYSKDPLTSNSII
VKIKAKEEKTDYLVPEQGYTKFSYEFETTEKDSSNIEITLIGSGTTYLDN
LSITELNSTPEILDEPEVKIPTDQEIMDAHKIYFADLNFNPSTGNTYING
MYFAPTQTNKEALDYIQKYRVEATLQYSGFKDIGTKDKEMRNYLGDPNQP
KTNYVNLRSYFTGGENIMTYKKLRIYAITPDDRELLVLSVD
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 chain7vnn Chain D Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7vnn Cryo-EM structures of the translocational binary toxin complex CDTa-bound CDTb-pore from Clostridioides difficile.
Resolution2.64 Å
Binding residue
(original residue number in PDB)		D220 D222 D224 I226 E231
Binding residue
(residue number reindexed from 1)		D7 D9 D11 I13 E18
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:7vnn, PDBe:7vnn, PDBj:7vnn
PDBsum7vnn
PubMed36253419
UniProtA8DS70

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