Structure of PDB 7vnn Chain D Binding Site BS03

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 903 [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]
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)		N621 Q644 S646 D734
Binding residue
(residue number reindexed from 1)		N386 Q409 S411 D499
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0051260 protein homooligomerization
Cellular Component
GO:0005576 extracellular region

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7vnn, PDBe:7vnn, PDBj:7vnn
PDBsum7vnn
PubMed36253419
UniProtA8DS70

[Back to BioLiP]