Structure of PDB 8grt Chain B Binding Site BS01

Receptor Information
>8grt Chain B (length=696) Species: 391008 (Stenotrophomonas maltophilia R551-3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGMWVPQQLPEIAGPLQKAGLKLSPEQLANLTGDPMGAVVALGGCTASFV
SPQGLVVTNHHCAYGAIQLNSTAQKNLIKDGFNAPTLKDELSAGPNARVF
VLDQITDVTAQAKAAIAGAGNDPLARSRALDAFDKAQVAACEADAGFRCR
LYSFSGGNTYRLFRNMEIKDVRLVYAPPGSVGKFGGDVDNWMWPRHTGDF
SFYRAYVGKDGKPAAFAADNVPYQPKHFLKFADQPLGADDFVMVAGYPGR
TNRYALAGEFNETASFTYPTIAKHYNAVLKMIADAGKADADVKVKYAATA
ASMNNVAKNYLGQLEGFKRIDAAGQKQAEEAAVLAWLKKQGAAGKPALAA
HAQLLKHLDTSKSTRERDLFVGQFNNTSAVGAAITLYRLSIERSKPDAER
EAGYQERDLTTIEGGLKQMDRRYVAKMDQQLQTYWLDQYVALPAAQRDNE
VLNKWLAGSDAAAVKSLVNKLGGTELGSLDTRLKWFKADRAAFEASNDPA
IQYAVAVMPALLKQEEQKKIREGESLTARPLYLQAVADYKKSQGEFVYPD
ANLSLRITFGNVMGYGKDGVKYTPFTTLEGVAAKETGEDPFDSPKALLDA
VKAKRYGGLEDKRLGSVPVNFLSNLDITGGNSGSPVLDANGKLVGLAFDG
NWESVSSNWVFDPVMTRMIAVDSRYMQWIMQEVAPAPQLLKELNLA
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 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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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)		H84 N213 W214 D222 N328 D672
Binding residue
(residue number reindexed from 1)		H61 N190 W191 D199 N305 D649
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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