Structure of PDB 6zzw Chain A Binding Site BS03

Receptor Information
>6zzw Chain A (length=131) Species: 216591 (Burkholderia cenocepacia J2315) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPLLSASIVSAPVVTSETYVDIPGLYLDVAKAGIRDGKLQVILNVPTPYA
TGNNFPGIYFAIATNQGVVADGCFTYSSKVPESTGRMPFTLVATIDVGSG
VTFVKGQWKSVRGSAMHIDSYASLSAIWGTA
Ligand information
Ligand IDQT5
InChIInChI=1S/C11H13N3/c1-9-13-5-6-14(9)11-4-2-3-10(7-11)8-12/h2-7H,8,12H2,1H3
InChIKeyCECWODAAUDOPCU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1nccn1c2cccc(c2)CN
CACTVS 3.385Cc1nccn1c2cccc(CN)c2
FormulaC11 H13 N3
Name[3-(2-methylimidazol-1-yl)phenyl]methanamine
ChEMBL
DrugBank
ZINCZINC000012370672
PDB chain6zzw Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zzw Prediction and Validation of a Druggable Site on Virulence Factor of Drug Resistant Burkholderia cenocepacia*.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R85 D118 S119
Binding residue
(residue number reindexed from 1)		R86 D119 S120
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links