Structure of PDB 6klw Chain F Binding Site BS01

Receptor Information
>6klw Chain F (length=406) Species: 1502 (Clostridium perfringens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDLDTDNDNIPDAYEKNGYTIKDSIAVKWNDSFAEQGYKKYVSSYLESNT
AGDPYTDYQKASGSIDKAIKLEARDPLVAAYPVVGVGMENLIISTNEHAS
SDQGKTVSRATTNSKTDANTVGVSISAGYQNGFTGNITTSYSHTTDNSTA
VQDSNGESWNTGLSINKGESAYINANVRYYNTGTAPMYKVTPTTNLVLDG
ETLATIKAQDNQIGNNLSPNETYPKKGLSPLALNTMDQFNARLIPINYDQ
LKKLDSGKQIKLETTQVSGNYGTKNSQGQIITEGNSWSNYISQIDSVSAS
IILDTGSQTFERRVAAKEQGNPEDKTPEITIGEAIKKAFSATKNGELLYF
NGIPIDESCVELIFDDNTSEIIKEQLKYLDDKKIYNVKLERGMNILIKVP
SYFTNF
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 chain6klw Chain F Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6klw Cryo-EM structures reveal translocational unfolding in the clostridial binary iota toxin complex.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D221 D223 E230 S259 E262 D272
Binding residue
(residue number reindexed from 1)		D6 D8 E15 S44 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:6klw, PDBe:6klw, PDBj:6klw
PDBsum6klw
PubMed32123390
UniProtQ46221

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