Structure of PDB 6py4 Chain A Binding Site BS01

Receptor Information
>6py4 Chain A (length=232) Species: 205922 (Pseudomonas fluorescens Pf0-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNAIREDLDNYLNEMGEVTADNIQTWLSGRILLIENAAQNIAINPEPAAV
ASLLEQKALTSTFMASYLGDATGHFTIRPDAKMPDGFDPRVRPWYKGAES
SSTSTLTEPYIDAATGQTIISIATAAKKAGQSVGVVGGDLSLQTLINTLS
ARGMGYAFLVSADGKILVHPDKALVMKSLKEAYPQDTPRISSDFSEVTVD
GKTRIVNFTPIKGLPSVNWYIGLSVDKDKAFS
Ligand information
Ligand IDLEU
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyROHFNLRQFUQHCH-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)O)N
CACTVS 3.341CC(C)C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CC(C)C
CACTVS 3.341CC(C)C[CH](N)C(O)=O
FormulaC6 H13 N O2
NameLEUCINE
ChEMBLCHEMBL291962
DrugBankDB00149
ZINCZINC000003645145
PDB chain6py4 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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PDB6py4 Broad Specificity of Amino Acid Chemoreceptor CtaA ofPseudomonas fluorescensIs Afforded by Plasticity of Its Amphipathic Ligand-Binding Pocket.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y101 M117 F121 R126 W128 Y144 D146 A147 D173
Binding residue
(residue number reindexed from 1)		Y67 M83 F87 R92 W94 Y110 D112 A113 D139
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links