Structure of PDB 3fvy Chain A Binding Site BS01

Receptor Information
>3fvy Chain A (length=718) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYILPNDIGVSSLDCREAFRLLSPTERLYAYHLSRAAWYGGLAVLLQTSP
EAPYIYALLSRLFRAQDPDQLHQHALAEGLTEEEYQAFLVYAAGVYSNMG
NYKSFGDTKFVPNLPKEKLERVILGSEAAQQHPEEVRGLWQTCGELMFSL
EPRLRHLGLGKEGITTYFSGNCTMEDAKLAQDFLDSQNLSAYNTRLFKEV
DGEGKPYYEVRLASVLGSESEVTSKLKSYEFRGSPFQVTRGDYAPILQKV
VEQLEKAKAYAANSHQGQMLAQYIESFTQGSIEAHKRGSRFWIQDKGPIV
ESYIGFIESYRDPFGSRGEFEGFVAVVNKAMSAKFERLVASAEQLLKELP
WPPTFEKDKFLTPDFTSLDVLTFAGSGIPAGINIPNYDDLRQTEGFKNVS
LGNVLAVAYATQREKLTFLEEDDKDLYILWKGPSFDVQVGLHELLGHGSG
KLFVQDEKGAFNFDQETVINPETGEQIQSWYRSGETWDSKFSTIASSYEE
CRAESVGLYLCLHPQVLEIFGFEGADAEDVIYVNWLNMVRAGLLALEFYT
PEAFNWRQAHMQARFVILRVLLEAGEGLVTITPTTGSDGRPDARVRLDRS
KIRSVGKPALERFLRRLQVLKSTGDVAGGRALYEGYATVTDAPPECFLTL
RDTVLLRKESRKLIVQPNTRLEGSDVQLLEYEASAAGLIRSFSERFPEDG
PELEEILTQLATADARFW
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 chain3fvy Chain A Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fvy Entropy-driven binding of opioid peptides induces a large domain motion in human dipeptidyl peptidase III.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H450 H455 E508
Binding residue
(residue number reindexed from 1)		H442 H447 E500
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:3fvy, PDBe:3fvy, PDBj:3fvy
PDBsum3fvy
PubMed22493238
UniProtQ9NY33|DPP3_HUMAN Dipeptidyl peptidase 3 (Gene Name=DPP3)

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