Structure of PDB 6z07 Chain AAA Binding Site BS01

Receptor Information
>6z07 Chain AAA (length=203) Species: 208963 (Pseudomonas aeruginosa UCBPP-PA14) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLRVLLDTAIPPSFCDTVSSVLLDDFNMVSLIRTSPADSLATIKQDNAEI
DIAITIDEELKISRFNQCVLGYTKAFVVAHPQHPLCNASLHSIASLANYR
QISLGSRSGQHSNLLRPVSDKVLFVENFDDMLRLVEAGVGWGIAPHYFVE
ERLRNGTLAVLSELYEPGGIDTKVYCYYNTALESERSFLRFLESARQRLR
ELG
Ligand information
Ligand IDQ4E
InChIInChI=1S/C16H16ClN3OS/c1-16(2,3)15-19-11(8-22-15)7-20-9-18-13-5-4-10(17)6-12(13)14(20)21/h4-6,8-9H,7H2,1-3H3
InChIKeyFGNPKMRRBOIDGA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)(C)c1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl
CACTVS 3.385CC(C)(C)c1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1
FormulaC16 H16 Cl N3 O S
Name3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one
ChEMBLCHEMBL4787128
DrugBank
ZINC
PDB chain6z07 Chain AAA Residue 401 [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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PDB6z07 Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		I149 A168 L207 I236 I263 T265
Binding residue
(residue number reindexed from 1)		I56 A75 L114 I143 I170 T172
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links