Structure of PDB 5ehh Chain A Binding Site BS03

Receptor Information
>5ehh 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 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 chain5ehh Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ehh Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Resolution2.38 Å
Binding residue
(original residue number in PDB)		S101 N102 S108 S384
Binding residue
(residue number reindexed from 1)		S99 N100 S106 S382
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5ehh, PDBe:5ehh, PDBj:5ehh
PDBsum5ehh
PubMed27025154
UniProtQ9NY33|DPP3_HUMAN Dipeptidyl peptidase 3 (Gene Name=DPP3)

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