Structure of PDB 5sdr Chain A Binding Site BS01

Receptor Information
>5sdr 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 IDO2A
InChIInChI=1S/C10H10N2O/c1-11-10(13)8-4-2-3-7-5-6-12-9(7)8/h2-6,12H,1H3,(H,11,13)
InChIKeyOKVUYVXDTGOYRU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CNC(=O)c1cccc2cc[nH]c12
OpenEye OEToolkits 2.0.6CNC(=O)c1cccc2c1[nH]cc2
ACDLabs 12.01N(C(c2cccc1ccnc12)=O)C
FormulaC10 H10 N2 O
NameN-methyl-1H-indole-7-carboxamide
ChEMBLCHEMBL4576940
DrugBank
ZINCZINC000076189815
PDB chain5sdr Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5sdr PanDDA analysis group deposition
Resolution2.077 Å
Binding residue
(original residue number in PDB)		K336 W675
Binding residue
(residue number reindexed from 1)		K315 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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5sdr, PDBe:5sdr, PDBj:5sdr
PDBsum5sdr
PubMed
UniProtB2RID1|DPP11_PORG3 Asp/Glu-specific dipeptidyl-peptidase (Gene Name=dpp11)

[Back to BioLiP]