Structure of PDB 6uwi Chain d Binding Site BS01

Receptor Information
>6uwi Chain d (length=645) Species: 1496 (Clostridioides difficile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDLDTDNDNIPDSYERNGYTIKDLIAVKWEDSFAEQGYKKYVSNYLESNT
AGDPYTDYEKASGSFDKAIKTEARDPLVAAYPIVGVGMEKLIISTNEHAS
TDQGKTVSRATTNSKTESNTAGVSVNVGNVTTNYSHTTDNSTAVQDSNGE
SWNTGLSINKGESAYINANVRYYNTGTAPMYKVTPTTNLVLDGDTLSTIK
AQENQIGNNLSPGDTYPKKGLSPLALNTMDQFSSRLIPINYDQLKKLETT
QVSGNFGTKNSSGQIVTEGNSWSDYISQIDSISASIILDTENESYERRVT
AKNLQDPEDKTPELTIGEAIEKAFGATKKDGLLYFNDIPIDESCVELIFD
DNTANKIKDSLKTLSDKKIYNVKLERGMNILIKTPTYFTNFDDYNNYPST
WSNVNTTNQDGLQGSANKLNGETKIKIPMSELKPYKRYVFSGYSKDPLTS
NSIIVKIKAKEEKTDYLVPEQGYTKFSYEFETTEKDSSNIEITLIGSGTT
YLDNLSITELNSTPEILDEPEVKIPTDQEIMDAHKIYFADLNFNPSTGNT
YINGMYFAPTQTNKEALDYIQKYRVEATLQYSGFKDIGTKDKEMRNYLGD
PNQPKTNYVNLRSYFTGGENIMTYKKLRIYAITPDDRELLVLSVD
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 chain6uwi Chain K 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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PDB6uwi Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		D222 D224 E231 N260 Y261 E263 D273
Binding residue
(residue number reindexed from 1)		D6 D8 E15 N44 Y45 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:6uwi, PDBe:6uwi, PDBj:6uwi
PDBsum6uwi
PubMed31896582
UniProtO32739

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