Structure of PDB 7vnn Chain A Binding Site BS01

Receptor Information
>7vnn Chain A (length=638) Species: 1496 (Clostridioides difficile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDLDTDNDNIPDSYERNGYTIKDLIAVKWEDSFAEQGYKKYVSNYLESNT
AGDPYTDYEKASGSFDKAIKTEARDPLVAAYPIVGVGMEKLIISTNEHAS
TDQGKTVSRATTNSKTESNTHTTDNSTAVQDSNGESWNTGLSINKGESAY
INANVRYYNTGTAPMYKVTPTTNLVLDGDTLSTIKAQENQIGNNLSPGDT
YPKKGLSPLALNTMDQFSSRLIPINYDQLKKLDAGKQIKLETTQVSGNFG
TKNSSGQIVTEGNSWSDYISQIDSISASIILDTENESYERRVTAKNLQDP
EDKTPELTIGEAIEKAFGATKKDGLLYFNDIPIDESCVELIFDDNTANKI
KDSLKTLSDKKIYNVKLERGMNILIKTPTYFTNFDDYNNYPSTWSNVNTT
NQDGLQGSANKLNGETKIKIPMSELKPYKRYVFSGYSKDPLTSNSIIVKI
KAKEEKTDYLVPEQGYTKFSYEFETTEKDSSNIEITLIGSGTTYLDNLSI
TELNSTPEILDEPEVKIPTDQEIMDAHKIYFADLNFNPSTGNTYINGMYF
APTQTNKEALDYIQKYRVEATLQYSGFKDIGTKDKEMRNYLGDPNQPKTN
YVNLRSYFTGGENIMTYKKLRIYAITPDDRELLVLSVD
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 A Residue 901 [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)		D222 D224 E231 N260 E263 D273
Binding residue
(residue number reindexed from 1)		D6 D8 E15 N44 E47 D57
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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