Structure of PDB 8grt Chain A Binding Site BS02

Receptor Information
>8grt 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 IDTYR
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H11 N O3
NameTYROSINE
ChEMBLCHEMBL925
DrugBankDB00135
ZINCZINC000000266964
PDB chain8grt Chain A Residue 802 [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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PDB8grt Small Dipeptide Analogues Generated by Co-crystal Structure of Bacterial Dipeptidyl Peptidase 7 to Defeat Stenotrophomonas maltophilia
Resolution2.59 Å
Binding residue
(original residue number in PDB)		W214 I650 T651 G652 S655 F671 D672 G673
Binding residue
(residue number reindexed from 1)		W192 I628 T629 G630 S633 F649 D650 G651
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:8grt, PDBe:8grt, PDBj:8grt
PDBsum8grt
PubMed
UniProtB4SLK2

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