Structure of PDB 7dkd Chain B Binding Site BS01

Receptor Information
>7dkd Chain B (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 IDASN
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKeyDCXYFEDJOCDNAF-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[C@@H](CC(N)=O)C(O)=O
ACDLabs 12.01O=C(N)CC(N)C(=O)O
CACTVS 3.370N[CH](CC(N)=O)C(O)=O
OpenEye OEToolkits 1.7.2C(C(C(=O)O)N)C(=O)N
OpenEye OEToolkits 1.7.2C([C@@H](C(=O)O)N)C(=O)N
FormulaC4 H8 N2 O3
NameASPARAGINE
ChEMBLCHEMBL58832
DrugBankDB00174
ZINCZINC000001532556
PDB chain7dkd Chain B 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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PDB7dkd Structural basis for an exceptionally strong preference for asparagine residue at the S2 subsite of Stenotrophomonas maltophilia dipeptidyl peptidase 7.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		H84 N213 W214 N328 F671 D672
Binding residue
(residue number reindexed from 1)		H62 N191 W192 N306 F649 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:7dkd, PDBe:7dkd, PDBj:7dkd
PDBsum7dkd
PubMed33846449
UniProtB4SLK2

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