Structure of PDB 5yp4 Chain D Binding Site BS02

Receptor Information
>5yp4 Chain D (length=714) Species: 128785 (Pseudoxanthomonas mexicana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEKLTLEAITGSAPLSGPTLTKPQIAPDGSRVTFLRGKDRDRNRLDLWEY
DIASGQTRLLVDSSVVLPGEEVLSDEEKARRERQRIAALSGIVDYQWSPD
GKALLFPLGGELYFYDLTKSGRDAVRKLTNGGGFATDPKISPKGGFVSFI
RDRNLWAIDLASGKEVQLTRDGSDTIGNGVAEFVADEEMDRHTGYWWAPD
DAAIAFARIDETPVPVQKRVEQRYPAAGDHNVRVQLGVIAPKTGARPRWI
DLGKDPDIYLARVDWRDPQRLTFQRQSRDQKKIELIETTLTNGTQRTLVT
ETSTTWVPLHNDLRFLKDGRFLWSSERSGFEHLYVASEDGSTLTALTQGE
WVVDSLLAIDEAAGLAYVSGTRDGATEAHVYAVPLSGGEPRRLTQAPGMH
AATFARNASVFVDSWSSDTTLPQIELFKADGTKLATLLVNDVSDATHPYA
KYRAAHQPTAYGTLTAADGTTPLHYSLIKPAGFDPKKQYPVVVFVYGGPA
AQTVTRAWPGRSDSFFNQYLAQQGYVVFTLDNRGTPRRGAAFGGALYGKQ
GTVEVDDQLRGIEWLKSQAFVDPARIGVYGWSNGGYMTLMLLAKHDEAYA
CGVAGAPVTDWALYDTHYTERYMDLPKANEAGYREASVFTHVDGIGAGKL
LLIHGMADDNVLFTNSTKLMSELQKRGTPFELMTYPGAKHGLRGSDLLHR
YRLTEDFFARCLKP
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 chain5yp4 Chain D Residue 802 [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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PDB5yp4 Crystal structures of a bacterial dipeptidyl peptidase IV reveal a novel substrate recognition mechanism distinct from that of mammalian orthologues.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y527 S613 N614 Y645 Y649
Binding residue
(residue number reindexed from 1)		Y496 S582 N583 Y614 Y618
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y527 S613 N614 D689 H721
Catalytic site (residue number reindexed from 1) Y496 S582 N583 D658 H690
Enzyme Commision number 3.4.14.5: dipeptidyl-peptidase IV.
Gene Ontology
Molecular Function
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5yp4, PDBe:5yp4, PDBj:5yp4
PDBsum5yp4
PubMed29426867
UniProtQ6F3I7|DAP4_PSEMX Dipeptidyl aminopeptidase 4 (Gene Name=dap4)

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