Structure of PDB 6v1s Chain D Binding Site BS02

Receptor Information
>6v1s Chain D (length=273) Species: 1496 (Clostridioides difficile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEDLDTDNDNIPDSYERNGYTIKDLIAVKWEDSFAEQGYKKYVSNYLESN
TAGDPYTDYEKASGSFDKAIKTEARDPLVAAYPIVGVGMEKLIISTNENK
GESAYINANVRYYNTGTAPMYKVTPTTNLVLDGDTLSTIKAQENQIGNNL
SPGDTYPKKGLSPLALNTMDQFSSRLIPINYDQLKKLDAGKQIKLETTQV
SGNFGTKNSSGQIVTEGNSWSDYISQIDSISASIILDTENESYERRVTAK
NLQDPEDKTPELTIGEAIEKAFG
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 chain6v1s Chain D Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6v1s Structural elucidation of theClostridioides difficiletransferase toxin reveals a single-site binding mode for the enzyme.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		D220 D222 D224 I226 E231
Binding residue
(residue number reindexed from 1)		D5 D7 D9 I11 E16
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:6v1s, PDBe:6v1s, PDBj:6v1s
PDBsum6v1s
PubMed32123082
UniProtA8DS70

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