Structure of PDB 6uwi Chain b Binding Site BS03

Receptor Information
>6uwi Chain b (length=644) 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
AQENQIGNNLSPGDTYPKKGLSPLALNTMDQFSSRLIPINYDQLKKETTQ
VSGNFGTKNSSGQIVTEGNSWSDYISQIDSISASIILDTENESYERRVTA
KNLQDPEDKTPELTIGEAIEKAFGATKKDGLLYFNDIPIDESCVELIFDD
NTANKIKDSLKTLSDKKIYNVKLERGMNILIKTPTYFTNFDDYNNYPSTW
SNVNTTNQDGLQGSANKLNGETKIKIPMSELKPYKRYVFSGYSKDPLTSN
SIIVKIKAKEEKTDYLVPEQGYTKFSYEFETTEKDSSNIEITLIGSGTTY
LDNLSITELNSTPEILDEPEVKIPTDQEIMDAHKIYFADLNFNPSTGNTY
INGMYFAPTQTNKEALDYIQKYRVEATLQYSGFKDIGTKDKEMRNYLGDP
NQPKTNYVNLRSYFTGGENIMTYKKLRIYAITPDDRELLVLSVD
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 I Residue 903 [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)		N621 D623 Q644 D734
Binding residue
(residue number reindexed from 1)		N389 D391 Q412 D502
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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