Structure of PDB 8grt Chain A Binding Site BS01

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 IDALC
InChIInChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyORQXBVXKBGUSBA-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)CC1CCCCC1
OpenEye OEToolkits 1.5.0C1CCC(CC1)CC(C(=O)O)N
CACTVS 3.341N[CH](CC1CCCCC1)C(O)=O
OpenEye OEToolkits 1.5.0C1CCC(CC1)C[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CC1CCCCC1)C(O)=O
FormulaC9 H17 N O2
Name2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID
ChEMBLCHEMBL383208
DrugBankDB02884
ZINCZINC000012368795
PDB chain8grt 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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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)		N213 W214 R218 N328 F671 D672
Binding residue
(residue number reindexed from 1)		N191 W192 R196 N306 F649 D650
Annotation score1
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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