Structure of PDB 8bam Chain A Binding Site BS02

Receptor Information
>8bam Chain A (length=525) Species: 101510 (Rhodococcus jostii RHA1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRTLPPGVSDERFDAALQRFRDVVGDKWVLSTADELEAFRDPYPVGAAEA
NLPSAVVSPESTEQVQDIVRIANEYGIPLHPVSTGKNNGYGGAAPRLSGS
VIVKTGERMNRILEVNEKYGYALLEPGVTYFDLYEYLQSHDSGLMLDCPE
LGWGSVVGNTLDRGVGYTPYGDHFMWQTGLEVVLPQGEVMRTGMGALPGS
DAWQLFPYGFGPFPDGMFTQSNLGIVTKMGIALMQRPPASQSFLITFDKE
EDLEQIVDIMLPLRINMAPLQNVPVLRNIFMDAAAVSKRTEWFDGDGPMP
AEAIERMKKDLDLGFWNFYGTLYGPPPLIEMYYGMIKEAFGKIPGARFFT
HEERDDRGGHVLQDRHKINNGIPSLDELQQLDWVPNGGHIGFVPVSAPDG
REAMKQFEMVRNRANEYNKDYMASFVIGLREMYHVCLFIYDTADPEAREE
ILQMTKVLVREAAEAGYGEYRTHNALMDDVMATFNWGDGALLKFHEKIKD
ALDPNGIIAPGKSGIWPQRFRGQNL
Ligand information
Ligand IDQBF
InChIInChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3
InChIKeyPHOPGVYKZWPIGA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0COc1cc(cc(c1O)OC)CCCO
CACTVS 3.385COc1cc(CCCO)cc(OC)c1O
FormulaC11 H16 O4
Name2,6-dimethoxy-4-(3-oxidanylpropyl)phenol;
propanol syringol
ChEMBLCHEMBL3793371
DrugBank
ZINCZINC000002566016
PDB chain8bam Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bam One-pot biocatalytic synthesis of rac-syringaresinol from a lignin-derived phenol
Resolution1.65 Å
Binding residue
(original residue number in PDB)		Y91 E151 Y168 R278 S425 V436 Y471
Binding residue
(residue number reindexed from 1)		Y90 E150 Y167 R277 S424 V435 Y470
Annotation score2
Enzymatic activity
Enzyme Commision number 1.1.3.38: vanillyl-alcohol oxidase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0004458 D-lactate dehydrogenase (cytochrome) activity
GO:0008720 D-lactate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0018465 vanillyl-alcohol oxidase activity
GO:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding
Biological Process
GO:1903457 lactate catabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:8bam, PDBe:8bam, PDBj:8bam
PDBsum8bam
PubMed38026814
UniProtQ0SBK1

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