Structure of PDB 8ekl Chain E Binding Site BS01

Receptor Information
>8ekl Chain E (length=355) Species: 645463 (Clostridioides difficile R20291) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDLDTDNDNIPDSYERNGYTIKDLIAVKWEDSFAEQGYKKYVSNYLESNT
AGDPYTDYEKASGSFDKAIKTEARDPLVAAYPIVGVGMEKLIISTNEHAS
TDQGKTVSNGESWNTGLSINKGESAYINANVRYYNTGTAPMYKVTPTTNL
VLDGDTLSTIKAQENQIGNNLSPGDTYPKKGLSPLALNTMDQFSSRLIPI
NYDQLKKLDAGKQIKLETTQVSGNFGTKNSSGQIVTEGNSWSDYISQIDS
ISASIILDTENESYERRVTAKNLQDPEDKTPELTIGEAIEKAFGATKKDG
LLYFNDIPIDESCVELIFDDNTANKIKDSLKTLSDKKIYNVKLERGMNIL
IKTPT
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 chain8ekl Chain E Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ekl Calcium-mediated Pore Formation of Clostridioides difficile Binary Toxin
Resolution3.06 Å
Binding residue
(original residue number in PDB)		D220 D222 D224 I226 P227 E231
Binding residue
(residue number reindexed from 1)		D4 D6 D8 I10 P11 E15
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:8ekl, PDBe:8ekl, PDBj:8ekl
PDBsum8ekl
PubMed
UniProtA0A9R0BM17

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