Structure of PDB 5sdd Chain B Binding Site BS01

Receptor Information
>5sdd Chain B (length=695) Species: 837 (Porphyromonas gingivalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGMWLMQQLGRKYAQMKERGLKMKEYDLYNPNGTSLKDAVVLFDGGCTGE
VVSDRGLVLTNHHCGYDMIQAHSTLEHNYLENGFWAMREADELPNKDISV
VFIDKIEDVTDYVKKELKAIKDPNSMDYLSPKYLQKLADKKAGKNFSAKN
PGLSVEIKAFYGGNLYLMFTKKTYTDVRLVGAPPSSIGKFGADTDNWIWP
RHTGDFSIFRIYADKNGNPAPYSEDNVPLKPKRFFNISLGGVQENDYAMI
MGFPGTTHRYFTASEVDEWKSIDNDIRIRMRDIRQGVMLREMLADPQIKI
MYSAKYAASQNAYKRAIGANWAIKTRGLRQNKQAMQDRLIAWGAKQGTPR
YEEAVHEIDATVAKRADLRRRYWMIEEGIIRGIEFARSPIPTEDETKALQ
ASARKEAIDKIRTRYSKFANKDYSAEVDKKVAVAMLTEYLKEIPYENLPL
HLRLVKDRFAGDVQAYVDDIFARSVFGSEAQFDAFAAVPSVEKLAEDPMV
LFASSVFDEYRKLYNELRPYDDPILRAQRTYIAGLLEMDGDQDQFPDANL
TLRFTYGQVKGYSPRDNVYYGHQTTLDGVMEKEDPDNWEFVVDPKLKAVY
ERKDFGRYADRSGRMPVAFCATTHTTGGNSGSPVMNANGELIGLNFDRNW
EGVGGDIQYLADYQRSIIVDIRYVLLVIDKVGGCQRLLDEMNIVP
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 B 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)		W219 I220 K336 I339 W675
Binding residue
(residue number reindexed from 1)		W197 I198 K314 I317 W650
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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