Structure of PDB 7dke Chain A Binding Site BS01

Receptor Information
>7dke Chain A (length=697) Species: 391008 (Stenotrophomonas maltophilia R551-3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEGMWVPQQLPEIAGPLQKAGLKLSPEQLANLTGDPMGAVVALGGCTASF
VSPQGLVVTNHHCAYGAIQLNSTAQKNLIKDGFNAPTLKDELSAGPNARV
FVLDQITDVTAQAKAAIAGAGNDPLARSRALDAFDKAQVAACEADAGFRC
RLYSFSGGNTYRLFRNMEIKDVRLVYAPPGSVGKFGGDVDNWMWPRHTGD
FSFYRAYVGKDGKPAAFAADNVPYQPKHFLKFADQPLGADDFVMVAGYPG
RTNRYALAGEFNETASFTYPTIAKHYNAVLKMIADAGKADADVKVKYAAT
AASMNNVAKNYLGQLEGFKRIDAAGQKQAEEAAVLAWLKKQGAAGKPALA
AHAQLLKHLDTSKSTRERDLFVGQFNNTSAVGAAITLYRLSIERSKPDAE
REAGYQERDLTTIEGGLKQMDRRYVAKMDQQLQTYWLDQYVALPAAQRDN
EVLNKWLAGSDAAAVKSLVNKLGGTELGSLDTRLKWFKADRAAFEASNDP
AIQYAVAVMPALLKQEEQKKIREGESLTARPLYLQAVADYKKSQGEFVYP
DANLSLRITFGNVMGYGKDGVKYTPFTTLEGVAAKETGEDPFDSPKALLD
AVKAKRYGGLEDKRLGSVPVNFLSNLDITGGNSGSPVLDANGKLVGLAFD
GNWESVSSNWVFDPVMTRMIAVDSRYMQWIMQEVAPAPQLLKELNLA
Ligand information
Ligand IDPHE
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyCOLNVLDHVKWLRT-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccccc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc1ccccc1
FormulaC9 H11 N O2
NamePHENYLALANINE
ChEMBLCHEMBL301523
DrugBankDB00120
ZINCZINC000000105196
PDB chain7dke 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

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PDB7dke Structural basis for an exceptionally strong preference for asparagine residue at the S2 subsite of Stenotrophomonas maltophilia dipeptidyl peptidase 7.
Resolution1.91 Å
Binding residue
(original residue number in PDB)		H84 N213 W214 R218 D222 N328 D672
Binding residue
(residue number reindexed from 1)		H62 N191 W192 R196 D200 N306 D650
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.14.-
Gene Ontology
Molecular Function
GO:0008239 dipeptidyl-peptidase activity
GO:0070009 serine-type aminopeptidase activity

View graph for
Molecular Function
External links
PDB RCSB:7dke, PDBe:7dke, PDBj:7dke
PDBsum7dke
PubMed33846449
UniProtB4SLK2

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