Structure of PDB 5yp3 Chain C Binding Site BS02

Receptor Information
>5yp3 Chain C (length=724) 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
DAAIAFARIDETPVPVQKRYEVYPDRTEVVEQRYPAAGDHNVRVQLGVIA
PKTGARPRWIDLGKDPDIYLARVDWRDPQRLTFQRQSRDQKKIELIETTL
TNGTQRTLVTETSTTWVPLHNDLRFLKDGRFLWSSERSGFEHLYVASEDG
STLTALTQGEWVVDSLLAIDEAAGLAYVSGTRDGATEAHVYAVPLSGGEP
RRLTQAPGMHAATFARNASVFVDSWSSDTTLPQIELFKADGTKLATLLVN
DVSDATHPYAKYRAAHQPTAYGTLTAADGTTPLHYSLIKPAGFDPKKQYP
VVVFVYGGPAAQTVTRAWPGRSDSFFNQYLAQQGYVVFTLDNRGTPRRGA
AFGGALYGKQGTVEVDDQLRGIEWLKSQAFVDPARIGVYGWSNGGYMTLM
LLAKHDEAYACGVAGAPVTDWALYDTHYTERYMDLPKANEAGYREASVFT
HVDGIGAGKLLLIHGMADDNVLFTNSTKLMSELQKRGTPFELMTYPGAKH
GLRGSDLLHRYRLTEDFFARCLKP
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 chain5yp3 Chain C Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5yp3 Crystal structures of a bacterial dipeptidyl peptidase IV reveal a novel substrate recognition mechanism distinct from that of mammalian orthologues.
Resolution2.44 Å
Binding residue
(original residue number in PDB)		Y527 S613 N614 Y645 Y649
Binding residue
(residue number reindexed from 1)		Y506 S592 N593 Y624 Y628
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y527 S613 N614 D689 H721
Catalytic site (residue number reindexed from 1) Y506 S592 N593 D668 H700
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
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Biological Process
External links
PDB RCSB:5yp3, PDBe:5yp3, PDBj:5yp3
PDBsum5yp3
PubMed29426867
UniProtQ6F3I7|DAP4_PSEMX Dipeptidyl aminopeptidase 4 (Gene Name=dap4)

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