Structure of PDB 8u1i Chain A Binding Site BS02

Receptor Information
>8u1i Chain A (length=402) Species: 1068979 (Amycolatopsis thermoflava N1165) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDTQEWLATVTVEQLENDPYPIFERLRREAPVAWIPAAHAWVASTWEACR
TIADDATNFRGGTSPMHERVLGTDHILGAEGETHQDLRAAVDPPLKPRAF
RPLLEEQVRPTVRRYLEAIRGQGKAELMADYFEPISVRCVGDVIGLTDVD
SDTLRRWFHALARGIANTAMDAEGRFTNPGGFAPADEAGAEIREVLEPLV
AKLSAEPDGSALSHYLHHGRPHGDPRTLEQLLPSLKVIILGGLQEPGHQC
AATFLGLTTRPEQLKRVTEDATLLPRALTEGLRWMSPVFSASSRLPLREI
TMGEATMRPGQTVWLSYGSANRDEAVFDRPDVFDLDRATHPHLAFGTGRH
LCSGSAYAPQVARIALEELFTAFPSIRLDPAHEVPVWGWLFRGPQRLDVL
WD
Ligand information
Ligand IDUB9
InChIInChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3
InChIKeyZFBNNSOJNZBLLS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(c(c(c1)OC)O)OC
ACDLabs 12.01
CACTVS 3.385		COc1cc(C)cc(OC)c1O
FormulaC9 H12 O3
Name2,6-dimethoxy-4-methylphenol
ChEMBL
DrugBank
ZINC
PDB chain8u1i Chain A Residue 502 [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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PDB8u1i Structural insights into the S-lignin O-demethylase SyoA
Resolution1.12 Å
Binding residue
(original residue number in PDB)		H75 L85 V245 L248 G249 S300 F399
Binding residue
(residue number reindexed from 1)		H67 L77 V237 L240 G241 S292 F391
Annotation score1
External links