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BioLiP

Structure of PDB 5oc1 Chain A Binding Site BS01

Receptor Information
>5oc1 Chain A (length=565) Species: 5323 (Pleurotus eryngii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFDYVVVGAGNAGNVVAARLTEDPDVSVLVLEAGVSDENVLGAEAPLLAP
GLVPNSIFDWNYTTTAQAGYNGRSIAYPRGRMLGGSSSVHYMVMMRGSTE
DFDRYAAVTGDEGWNWDNIQQFVRKNEMVVPPADNHNTSGEFIPAVHGTN
GSVSISLPGFPTPLDDRVLATTQEQSEEFFFNPDMGTGHPLGISWSIASV
GNGQRSSSSTAYLRPAQSRPNLSVLINAQVTKLVNSGTTNGLPAFRCVEY
AEQEGAPTTTVCAKKEVVLSAGSVGTPILLQLSGIGDENDLSSVGIDTIV
NNPSVGRNLSDHLLLPAAFFVNSNQTFDNIFRDSSEFNVDLDQWTNTRTG
PLTALIANHLAWLRLPSNSSIFQTFPDPAAGPNSAHWETIFSNQWFHPAI
PRPDTGSFMSVTNALISPVARGDIKLATSNPFDKPLINPQYLSTEFDIFT
MIQAVKSNLRFLSGQAWADFVIRPFDPRLRDPTDDAAIESYIRDNANTIF
HPVGTASMSPRGASWGVVDPDLKVKGVDGLRIVDGSILPFAPNAHTQGPI
YLVGERGADLIKADQ
Ligand information
Ligand IDANN
InChIInChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyZEYHEAKUIGZSGI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341COc1ccc(cc1)C(O)=O
OpenEye OEToolkits 1.5.0COc1ccc(cc1)C(=O)O
ACDLabs 10.04O=C(O)c1ccc(OC)cc1
FormulaC8 H8 O3
Name4-METHOXYBENZOIC ACID;
P-ANISIC ACID
ChEMBLCHEMBL21932
DrugBankDB02795
ZINCZINC000000332748
PDB chain5oc1 Chain A Residue 601 [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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PDB5oc1 Protein dynamics promote hydride tunnelling in substrate oxidation by aryl-alcohol oxidase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Y92 I357 I391 F397 T413 I500 H502 H546
Binding residue
(residue number reindexed from 1)		Y91 I356 I390 F396 T412 I499 H501 H545
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) V340 N414 A415 I500 H502 A545 H546
Catalytic site (residue number reindexed from 1) V339 N413 A414 I499 H501 A544 H545
Enzyme Commision number 1.1.3.7: aryl-alcohol oxidase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0047682 aryl-alcohol oxidase activity
GO:0050660 flavin adenine dinucleotide binding

View graph for
Molecular Function
External links

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