Structure of PDB 5egy Chain A Binding Site BS01

Receptor Information
>5egy 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]
DTQYILPNDIGVSSLDSREAFRLLSPTERLYAYHLSRAAWYGGLAVLLQT
SPEAPYIYALLSRLFRAQDPDQLRQHALAEGLTEEEYQAFLVYAAGVYSN
MGNYKSFGDTKFVPNLPKEKLERVILGSEAAQQHPEEVRGLWQTCGELMF
SLEPRLRHLGLGKEGITTYFSGNCTMEDAKLAQDFLDSQNLSAYNTRLFK
EVDGCGKPYYEVRLASVLGSEPSLDSEVTSKLKSYEFRGSPFQVTRGDYA
PILQKVVEQLEKAKAYAANSHQGQMLAQYIESFTQGSIEAHKRGSRFWIQ
DKGPIVESYIGFIESYRDPFGSRGEFEGFVAVVNKAMSAKFERLVASAEQ
LLKELPWPPTFEKDKFLTPDFTSLDVLTFAGSGIPAGINIPNYDDLRQTE
GFKNVSLGNVLAVAYATQREKLTFLEEDDKDLYILWKGPSFDVQVGLHAL
LGHGSGKLFVQDEKGAFNFDQETVINPETGEQIQSWYRCGETWDSKFSTI
ASSYEECRAESVGLYLSLHPQVLEIFGFEGADAEDVIYVNWLNMVRAGLL
ALEFYTPEAFNWRQAHMQARFVILRVLLEAGEGLVTITPTTGSDGRPDAR
VRLDRSKIRSVGKPALERFLRRLQVLKSTGDVAGGRALYEGYATVTDAPP
ESFLTLRDTVLLRKESRKLIVQPNTRLEGSDVQLLEYEASAAGLIRSFSE
RFPEDGPELEEILTQLATADARFW
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5egy Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5egy Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Resolution2.741 Å
Binding residue
(original residue number in PDB)		H450 H455 E508
Binding residue
(residue number reindexed from 1)		H448 H453 E506
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

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5egy, PDBe:5egy, PDBj:5egy
PDBsum5egy
PubMed27025154
UniProtQ9NY33|DPP3_HUMAN Dipeptidyl peptidase 3 (Gene Name=DPP3)

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