Structure of PDB 5jwi Chain A Binding Site BS02

Receptor Information
>5jwi Chain A (length=697) Species: 28124 (Porphyromonas endodontalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDGGMWLMQQINGQVARMKSLGMQLEAADIYNPNGSSLKDAVVMFDGGCT
GVLVSNQGLLLTNHHCGYDQIQKHSSVQHNYLKDGFWSYSLAEELVNPGL
EVEIVDEITDVTAAVKKELERIKKPSGLEFLSPRYLSSLAPEIVGKKAAS
RPGYRYEIKAFYGGNRYYMFTKKVFRDVRLVAAPPSSIGKFGSDTDNWAW
PRHTGDFSIFRLYADKNGNPAEYSKDNVPYRPKRWVKVNAQGVKEGDFAL
IMGYPGTTYKFFTADEVTEWSEIDNNIRIEMRGILQDVMLREMLADPKIN
IMYAAKYASSQNGYKRAQGANWAIRRRSLREIKLAQQQEVLAWAKQKGIA
TTEEAVRAISKAIEGRQDLRMRQRYLLEGILMGIEMSNAPAADSDIADHW
DDPARREAGLQSIRKQFEAFFNKDYSPEVEKDQLAIALLTRYAERIPAEK
QPISIREGIAEYGSAKAYVEMIFDKSIYASRERFEEFMKNPDRDRLLRDP
MSRFAASVAYEHQKLAKEVAAFDAPLAAAQRSYVASVLDMKGQPNLAPDA
NLTLRFTYGEIKGYQPRDVVTYGAKSTLEGVMEKEDPNNWEYVVDPKLKA
LYEAKNYGRYANSDGSMPVNFCATTHTTGGNAGSPVMNARGELIGLNFDR
NWEGVGGDIEYLPNYQRSIILDIRYLLFIIDKFAGCQRLIDEIQPQF
Ligand information
Ligand IDGLU
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain5jwi 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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PDB5jwi Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H85 T647 T648 G649 G650 A652 D669 R670
Binding residue
(residue number reindexed from 1)		H65 T627 T628 G629 G630 A632 D649 R650
Annotation score4
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:0070009 serine-type aminopeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0043171 peptide catabolic process
Cellular Component
GO:0005576 extracellular region
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:5jwi, PDBe:5jwi, PDBj:5jwi
PDBsum5jwi
PubMed28588213
UniProtF8WQK8|DPP11_POREA Asp/Glu-specific dipeptidyl-peptidase (Gene Name=dpp11)

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