Structure of PDB 6q0f Chain A Binding Site BS01

Receptor Information
>6q0f Chain A (length=219) Species: 205922 (Pseudomonas fluorescens Pf0-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REDLDNYLNEMGEVTADNIQTWLSGRILLIENAAQNIAINPEPAAVASLL
EQKALTSTFMASYLGDATGHFTIRPDAKMPDGFDPRVRPWYKGAESSSTS
TLTEPYIDAATGQTIISIATAAKKAGQSVGVVGGDLSLQTLINTLSARDG
MGYAFLVSADGKILVHPDKALVMKSLKEAYPQDTPRISSDFSERIVNFTP
IKGLPSVNWYIGLSVDKDK
Ligand information
Ligand IDVAL
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyKZSNJWFQEVHDMF-BYPYZUCNSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)C(C)C
OpenEye OEToolkits 1.5.0CC(C)C(C(=O)O)N
OpenEye OEToolkits 1.5.0CC(C)[C@@H](C(=O)O)N
CACTVS 3.341CC(C)[C@H](N)C(O)=O
CACTVS 3.341CC(C)[CH](N)C(O)=O
FormulaC5 H11 N O2
NameVALINE
ChEMBLCHEMBL43068
DrugBankDB00161
ZINCZINC000000895099
PDB chain6q0f Chain A Residue 301 [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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PDB6q0f Broad Specificity of Amino Acid Chemoreceptor CtaA ofPseudomonas fluorescensIs Afforded by Plasticity of Its Amphipathic Ligand-Binding Pocket.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y101 F109 F121 R126 W128 Y144 D146 A147 D173
Binding residue
(residue number reindexed from 1)		Y63 F71 F83 R88 W90 Y106 D108 A109 D135
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links