Structure of PDB 6can Chain A Binding Site BS01

Receptor Information
>6can Chain A (length=616) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEDPYIWMENLEDERVLKIIEEENKRFREFIGELSDKLFPEVWEQFSQPT
IGMARITKKGIIASYSEKDRVVIKWFNGDVIVDSKELEREVGDEVLLQGF
TTDEEGEKLAYSFSIGGADEGITRIIDLKTGEVIEEIKPSIWNITFLKDG
YYFTRFYRKEKTPDGVNPPAARMFWKDREGERMVFGEGLTSGYFMSIRKS
SDGKFAIVTLTYGWNQGEVYIGPIDNPQEWKKVYSASVPVEAIDVVNGKL
YILTKEGKGLGKIIAIKNGKIDEVIPEGEFPLEWAVIVRDKILAGRLVHA
SYKLEVYTLNGEKIKEITFDVPGSLYPLDKDEERVLLRYTSFTIPYRLYE
FKDDLRLIEERKVEGEFRVEEDFATSKDGTKVHYFIVKGERDEKRAWVFG
YGGFNIALTPMFFPQVIPFLKRGGTFIMANLRGGSEYGEEWHRAGMRENK
QNVFDDFIAVLEKLKKEGYKVAAWGRCNGGLLVSATLTQRPDVMDSALIG
YPVIDMLRFHKLYIGSVWIPEYGNPEDPKDREFLLKYSPYHNVDPKKKYP
PTLIYTGLHDDRVHPAHALKFFMKLKEIGAPVYLRVETKSGHMGASPETR
ARELTDLLAFVLKTLS
Ligand information
Ligand IDCL
InChIInChI=1S/ClH/h1H/p-1
InChIKeyVEXZGXHMUGYJMC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cl-]
FormulaCl
NameCHLORIDE ION
ChEMBL
DrugBankDB14547
ZINC
PDB chain6can Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6can Crystal Structure and Conformational Dynamics of Pyrococcus furiosus Prolyl Oligopeptidase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R476 Y555 R600
Binding residue
(residue number reindexed from 1)		R476 Y555 R600
Annotation score3
Enzymatic activity
Enzyme Commision number 3.4.21.26: prolyl oligopeptidase.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
GO:0070012 oligopeptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6can, PDBe:6can, PDBj:6can
PDBsum6can
PubMed30786206
UniProtQ51714

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