Structure of PDB 5t88 Chain B Binding Site BS03

Receptor Information
>5t88 Chain B (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
QNVFDDFIAVLEKLKKEGYKVAAWGRSNGGLLVSATLTQRPDVMDSALIG
YPVIDMLRFHKLYIGSVWIPEYGNPEDPKDREFLLKYSPYHNVDPKKKYP
PTLIYTGLHDDRVHPAHALKFFMKLKEIGAPVYLRVETKSGHMGASPETR
ARELTDLLAFVLKTLS
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain5t88 Chain B Residue 709 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5t88 Crystal Structure and Conformational Dynamics of Pyrococcus furiosus Prolyl Oligopeptidase.
Resolution1.902 Å
Binding residue
(original residue number in PDB)		W518 R562
Binding residue
(residue number reindexed from 1)		W518 R562
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y401 S477 D560 H592
Catalytic site (residue number reindexed from 1) Y401 S477 D560 H592
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:5t88, PDBe:5t88, PDBj:5t88
PDBsum5t88
PubMed30786206
UniProtQ51714

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