Structure of PDB 5jxf Chain A Binding Site BS02

Receptor Information
>5jxf Chain A (length=694) Species: 96345 (Flavobacterium psychrophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLQQGGMWIPSLLSGMNETEMKNLGMKISADDIYSVNHSSLKDAVPHFNG
GCTSEVISPKGLILTNHHCGFDAIQNHSSVDHDYLTNGFWAMKMEDELPN
ENLVVTFIVSINDVTAQILDGVASITSETEKQNKIQENITKVTASFAKEA
WQENKVRTFFEGNQYILFVTEVFKDVRLVGAPPSLIGKFGSDTDNWVWPR
HTGDFSMFRVYANKNNHPAAYSKDNVPYIPKHFLPVSLDGVQEDDFTMVM
GYPGKTQEYLPSFAVAQIVNETNPAKIEIREAALKVQDGFMRKDNAIKIQ
YASKYAGVANYWKKWIGESQGLKKSNAIGLKQNFEKDFQQKVIAAGKQNE
YGNLLADFQKYYTEITPYAVSRDYFNEVVVKNTELLSLGYKLYQLEQVFI
TKGEQAFNDRKENLIKSQADFFKDFNSTVDEKVFEQLVALYATKAPKEFL
PISVEYKKFAPSIYSKSKLVDYANFKALLSGDAKAVLKKISLDKGYAFVK
SLADNYSKNIAPRYDEINLKINALQRIYMKAQLELYPNSRIFPDANSTLR
VTYGKVKGYSPKDAIYYNPTTYLDGAIEKYIPGDYEFDVPKKLIDLYNNK
DYGQYGENGKLPVCFIGTNHTTGGNSGSPAVDAQGNLIGLNFDRVWEGTM
SDIHYDPSICRNVMVDMRYVLFIVDKFAGAKHLINEMKLVHPKK
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain5jxf 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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PDB5jxf Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		W211 T640 G641 S644 R662
Binding residue
(residue number reindexed from 1)		W196 T622 G623 S626 R644
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

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Molecular Function
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Biological Process
External links
PDB RCSB:5jxf, PDBe:5jxf, PDBj:5jxf
PDBsum5jxf
PubMed28588213
UniProtA6GWM2|DPP11_FLAPJ Asp/Glu-specific dipeptidyl-peptidase (Gene Name=dpp11)

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