Structure of PDB 7oup Chain A Binding Site BS03

Receptor Information
>7oup Chain A (length=724) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTQYILPNDIGVSSLDCREAFRLLSPTERLYAYHLSRAAWYGGLAVLLQT
SPEAPYIYALLSRLFRAQDPDQLRQHALAEGLTEEEYQAFLVYAAGVYSN
MGNYKSFGDTKFVPNLPKEKLERVILGSEAAQQHPEEVRGLWQTCGELMF
SLEPRLRHLGLGKEGITTYFSGNCTMEDAKLAQDFLDSQNLSAYNTRLFK
EVDGEGKPYYEVRLASVLGSEPSLDSEVTSKLKSYEFRGSPFQVTRGDYA
PILQKVVEQLEKAKAYAANSHQGQMLAQYIESFTQGSIEAHKRGSRFWIQ
DKGPIVESYIGFIESYRDPFGSRGEFEGFVAVVNKAMSAKFERLVASAEQ
LLKELPWPPTFEKDKFLTPDFTSLDVLTFAGSGIPAGINIPNYDDLRQTE
GFKNVSLGNVLAVAYATQREKLTFLEEDDKDLYILWKGPSFDVQVGLHAL
LGHGSGKLFVQDEKGAFNFDQETVINPETGEQIQSWYRSGETWDSKFSTI
ASSYEECRAESVGLYLCLHPQVLEIFGFEGADAEDVIYVNWLNMVRAGLL
ALEFYTPEAFNWRQAHMQARFVILRVLLEAGEGLVTITPTTGSDGRPDAR
VRLDRSKIRSVGKPALERFLRRLQVLKSTGDVAGGRALYEGYATVTDAPP
ECFLTLRDTVLLRKESRKLIVQPNTRLEGSDVQLLEYEASAAGLIRSFSE
RFPEDGPELEEILTQLATADARFW
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain7oup Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7oup Efficient Entropy-Driven Inhibition of Dipeptidyl Peptidase III by Hydroxyethylene Transition-State Peptidomimetics.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		G162 G164 G167 I168
Binding residue
(residue number reindexed from 1)		G160 G162 G165 I166
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.14.4: dipeptidyl-peptidase III.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0005515 protein binding
GO:0008235 metalloexopeptidase activity
GO:0008237 metallopeptidase activity
GO:0008239 dipeptidyl-peptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
GO:0030163 protein catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7oup, PDBe:7oup, PDBj:7oup
PDBsum7oup
PubMed34314529
UniProtQ9NY33|DPP3_HUMAN Dipeptidyl peptidase 3 (Gene Name=DPP3)

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