Structure of PDB 7oz7 Chain B Binding Site BS02

Receptor Information
>7oz7 Chain B (length=804) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LEPFYVERYSWSQLKKLLADTRKMAKAPHDFMFVKRNDPDGPHSDRIYYL
AMSNRENTLFYSEIPKTINRAAVLMLSWKPLLDLFVGIASYDYHQGSGTF
LFQAGSGIYHVKDGGPQGFTQQPLRPNLVETSCPNIRMDPKLCPADPDWI
AFIHSNDIWISNIVTREERRLTYVHNELANMEEDARSAGVATFVLQEEFD
RYSGYWWCPKAETTPSGGKILRILYEENDESEVEIIHVTDSFRYPKTGTA
NPKVTFKMSEIMIDAEGRIIDVIDKELIQPFEILFEGVEYIARAGWTPEG
KYAWSILLDRSQTRLQIVLISPELFIPVEDDVMERQRLIESVPDSVTPLI
IYEETTDIWINIHDIFHVFPQSHEEEIEFIFASECKTGFRHLYKITSILK
ESKYKRSSGGLPAPSDFKCPIKEEIAITSGEWEVLGRHGSNIQVDEVRRL
VYFEGTKDSPLEHHLYVVSYVNPGEVTRLTDRGYSHSCCISQHCDFFISK
YSNQKNPHCVSLYKLSSPEDDPTCKTKEFWATILDSAGPLPDYTPPEIFS
FESTTGFTLYGMLYKPHDLQPGKKYPTVLFIYGGPQVQLVNNRFKGVKYF
RLNTLASLGYVVVVIDNRGSCHRGLKFEGAFKYKMGQIEIDDQVEGLQYL
ASRYDFIDLDRVGIHGWSYGGYLSLMALMQRSDIFRVAIAGAPVTLWIFY
DTGYTERYMGHPDQNEQGYYLGSVAMQAEKFPSEPNRLLLLHGFLDENVH
FAHTSILLSFLVRAGKPYDLQIYPQVPESGEHYELHLLHYLQENLGSRIA
ALKV
Ligand information
Ligand IDTMO
InChIInChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
InChIKeyUYPYRKYUKCHHIB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.0		C[N+](C)(C)[O-]
ACDLabs 12.01[O-][N+](C)(C)C
FormulaC3 H9 N O
Nametrimethylamine oxide
ChEMBL
DrugBank
ZINCZINC000000895494
PDB chain7oz7 Chain B Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7oz7 Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		Y669 S755 Y756
Binding residue
(residue number reindexed from 1)		Y582 S668 Y669
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.14.5: dipeptidyl-peptidase IV.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0005515 protein binding
GO:0008236 serine-type peptidase activity
GO:0008239 dipeptidyl-peptidase activity
Biological Process
GO:0006508 proteolysis
GO:0006915 apoptotic process
GO:0006955 immune response
GO:0043069 negative regulation of programmed cell death
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7oz7, PDBe:7oz7, PDBj:7oz7
PDBsum7oz7
PubMed36089535
UniProtQ6V1X1|DPP8_HUMAN Dipeptidyl peptidase 8 (Gene Name=DPP8)

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