Structure of PDB 3fu7 Chain A Binding Site BS07

Receptor Information
>3fu7 Chain A (length=559) Species: 204285 (Melanocarpus albomyces) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPTCNTPSNRACWSDGFDINTDYEVSTPDTGVTQSYVFNLTEVDNWMGPD
GVVKEKVMLINGNIMGPNIVANWGDTVEVTVINNLVTNGTSIHWHGIHQK
DTNLHDGANGVTECPIPPKGGQRTYRWRARQYGTSWYHSHFSAQYGNGVV
GTIQINGPASLPYDIDLGVFPITDYYYRAADDLVHFTQNNAPPFSDNVLI
NGTAVNPNTGEGQYANVTLTPGKRHRLRILNTSTENHFQVSLVNHTMTVI
AADMVPVNAMTVDSLFLAVGQRYDVVIDASRAPDNYWFNVTFGGQAACGG
SLNPHPAAIFHYAGAPGGLPTDEGTPPVDHQCLDTLDVRPVVPRSVPVNS
FVKRPDNTLPVALDLTGTPLFVWKVNGSDINVDWGKPIIDYILTGNTSYP
VSDNIVQVDAVDQWTYWLIENDPEGPFSLPHPMHLHGHDFLVLGRSPDVP
AASQQRFVFDPAVDLARLNGDNPPRRDTTMLPAGGWLLLAFRTDNPGAWL
FHCHIAWHVSGGLSVDFLERPADLRQRISQEDEDDFNRVCDEWRAYWPTN
PYPKIDSGL
Ligand information
Ligand IDD2M
InChIInChI=1S/C16H18O6/c1-18-11-6-5-7-12(19-2)16(11)22-10-8-13(20-3)15(17)14(9-10)21-4/h5-9,17H,1-4H3
InChIKeyJKALBPJYUOVWCR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1cccc(c1Oc2cc(c(c(c2)OC)O)OC)OC
CACTVS 3.341COc1cc(Oc2c(OC)cccc2OC)cc(OC)c1O
ACDLabs 10.04O(c1cc(OC)c(O)c(OC)c1)c2c(OC)cccc2OC
FormulaC16 H18 O6
Name4-(2,6-dimethoxyphenoxy)-2,6-dimethoxyphenol
ChEMBL
DrugBank
ZINCZINC000058638437
PDB chain3fu7 Chain B Residue 2100 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fu7 Structure Function Studies of a Melanocarpus albomyces Laccase Suggest a Pathway for Oxidation of Phenolic Compounds.
Resolution1.67 Å
Binding residue
(original residue number in PDB)		A191 P192 F371 F427 L429
Binding residue
(residue number reindexed from 1)		A191 P192 F371 F427 L429
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H93 H95 H138 H140 H431 H434 H436 H502 C503 H504 I505 H508 L513
Catalytic site (residue number reindexed from 1) H93 H95 H138 H140 H431 H434 H436 H502 C503 H504 I505 H508 L513
Enzyme Commision number 1.10.3.2: laccase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0052716 hydroquinone:oxygen oxidoreductase activity
Biological Process
GO:0030245 cellulose catabolic process
GO:0046274 lignin catabolic process
Cellular Component
GO:0043245 extraorganismal space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3fu7, PDBe:3fu7, PDBj:3fu7
PDBsum3fu7
PubMed19563811
UniProtQ70KY3|LAC1_MELAO Laccase-1 (Gene Name=LAC1)

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