Structure of PDB 5sdd Chain A Binding Site BS01

Receptor Information
>5sdd Chain A (length=697) Species: 837 (Porphyromonas gingivalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEGMWLMQQLGRKYAQMKERGLKMKEYDLYNPNGTSLKDAVVLFDGGCTG
EVVSDRGLVLTNHHCGYDMIQAHSTLEHNYLENGFWAMREADELPNKDIS
VVFIDKIEDVTDYVKKELKAIKDPNSMDYLSPKYLQKLADKKAGKNFSAK
NPGLSVEIKAFYGGNLYLMFTKKTYTDVRLVGAPPSSIGKFGADTDNWIW
PRHTGDFSIFRIYADKNGNPAPYSEDNVPLKPKRFFNISLGGVQENDYAM
IMGFPGTTHRYFTASEVDEWKSIDNDIRIRMRDIRQGVMLREMLADPQIK
IMYSAKYAASQNAYKRAIGANWAIKTRGLRQNKQAMQDRLIAWGAKQGTP
RYEEAVHEIDATVAKRADLRRRYWMIEEGIIRGIEFARSPIPTEDETKAL
QDASARKEAIDKIRTRYSKFANKDYSAEVDKKVAVAMLTEYLKEIPYENL
PLHLRLVKDRFAGDVQAYVDDIFARSVFGSEAQFDAFAAVPSVEKLAEDP
MVLFASSVFDEYRKLYNELRPYDDPILRAQRTYIAGLLEMDGDQDQFPDA
NLTLRFTYGQVKGYSPRDNVYYGHQTTLDGVMEKEDPDNWEFVVDPKLKA
VYERKDFGRYADRSGRMPVAFCATTHTTGGNSGSPVMNANGELIGLNFDR
NWEGVGGDIQYLADYQRSIIVDIRYVLLVIDKVGGCQRLLDEMNIVP
Ligand information
Ligand ID2L1
InChIInChI=1S/C14H17N3/c1-11-14(16-10-15-11)9-17-7-6-12-4-2-3-5-13(12)8-17/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKeyYMDNLKUYUOOVMM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1nc[nH]c1CN2CCc3ccccc3C2
OpenEye OEToolkits 1.7.6Cc1c([nH]cn1)CN2CCc3ccccc3C2
ACDLabs 12.01n1c(c(nc1)CN3Cc2c(cccc2)CC3)C
FormulaC14 H17 N3
Name2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
ChEMBLCHEMBL3237626
DrugBank
ZINCZINC000000216852
PDB chain5sdd 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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PDB5sdd PanDDA analysis group deposition
Resolution1.839 Å
Binding residue
(original residue number in PDB)		K336 I339 W675
Binding residue
(residue number reindexed from 1)		K315 I318 W652
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.14.-
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0008236 serine-type peptidase activity
GO:0008239 dipeptidyl-peptidase activity
GO:0042277 peptide binding
GO:0070009 serine-type aminopeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0043171 peptide catabolic process
GO:0048588 developmental cell growth
Cellular Component
GO:0009986 cell surface

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5sdd, PDBe:5sdd, PDBj:5sdd
PDBsum5sdd
PubMed
UniProtB2RID1|DPP11_PORG3 Asp/Glu-specific dipeptidyl-peptidase (Gene Name=dpp11)

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