Structure of PDB 7yvq Chain B Binding Site BS03

Receptor Information
>7yvq Chain B (length=494) Species: 1496 (Clostridioides difficile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDLDTDNDNIPDSYERNGYTIKDLIAVKWEDSFAEQGYKKYVSNYLESNT
AGDPYTDYEKASGSFDKAIKTEARDPLVAAYPIVGVGMEKLIISTNEHAS
TDQGKTVSRATTNSKSTAVQDSNGESWNTGLSINKGESAYINANVRYYNT
GTAPMYKVTPTTNLVLDGDTLSTIKAQENQIGNNLSPGDTYPKKGLSPLA
LNTMDQFSSRLIPINYDQLKKLDAGKQIKLETTQVSGNFGTKNSSGQIVT
EGNSWSDYISQIDSISASIILDTENESYERRVTAKNLQDPEDKTPELTIG
EAIEKAFGATKKDGLLYFNDIPIDESCVELIFDDNTANKIKDSLKTLSDK
KIYNVKLERGMNILIKTPTYFTNFDDYNNYPSTWSNVNTTNQDGLQGSAN
KLNGETKIKIPMSELKPYKRYVFSGYSKDPLTSNSIIVKIKAKEEKTDYL
VPEQGYTKFSYEFETTEKDSSNIEITLIGSGTTYLDNLSITELN
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 chain7yvq Chain B Residue 903 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7yvq Cryo-EM structures of the translocational binary toxin complex CDTa-bound CDTb-pore from Clostridioides difficile.
Resolution3.18 Å
Binding residue
(original residue number in PDB)
N621 D623 Q644 S646 D734
Binding residue
(residue number reindexed from 1)
N373 D375 Q396 S398 D486
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:7yvq, PDBe:7yvq, PDBj:7yvq
PDBsum7yvq
PubMed36253419
UniProtA8DS70

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