Structure of PDB 3ta4 Chain F Binding Site BS06

Receptor Information

>3ta4 Chain F (length=282) Species: 385957 (Amycolatopsis sp. ATCC 39116)

GSHMPVRAQGTTRRITMYAEKISDELYGYGLAPGGATVPGPVLEMWEGDT
LEIDLVNTTDRVLSLHPHGVDYDVNSDGTLMNGSAVMPGQTRRYTWRSHV
GYRRADGSWAEGTAGYWHYHDHAMGTEHGTEGVLKGLYGALVVRRQGDLL
PKRQFTVVFNDMMINNRAHHDAPTFEANLGERVEWIAIGHGSNFHTFHLH
GHRWLDNRTGMRTSEYDPSPLIDIKDLNPGVSFGFQVIAGEGVGPGMWMY
HCHVQNHSDMGMAGMFLVRNADGTMPAGVHEH

Ligand information

• Ligand ID: TO2
• InChI: InChI=1S/C18H22O6/c1-21-13-6-4-5-7-15(13)24-17(11-19)18(20)12-8-9-14(22-2)16(10-12)23-3/h4-10,17-20H,11H2,1-3H3/t17-,18+/m0/s1
• InChIKey: IEWUCQVFAWBYOC-ZWKOTPCHSA-N
• SMILES:
  ACDLabs 12.01: O(c1ccc(cc1OC)C(O)C(Oc2ccccc2OC)CO)C
  OpenEye OEToolkits 1.7.2: COc1ccccc1O[C@@H](CO)[C@@H](c2ccc(c(c2)OC)OC)O
  CACTVS 3.370: COc1ccccc1O[CH](CO)[CH](O)c2ccc(OC)c(OC)c2
  OpenEye OEToolkits 1.7.2: COc1ccccc1OC(CO)C(c2ccc(c(c2)OC)OC)O
  CACTVS 3.370: COc1ccccc1O[C@@H](CO)[C@H](O)c2ccc(OC)c(OC)c2
• Formula: C18 H22 O6
• Name: (1R,2S)-1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
• ZINC: ZINC000000519737
• PDB chain: 3ta4 Chain F Residue 312

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ta4 Roles of small laccases from Streptomyces in lignin degradation.
• Resolution: 2.35 Å
• Binding residue (original residue number in PDB): N280 D283
• Binding residue (residue number reindexed from 1): N256 D259
• Annotation score: 1

Enzymatic activity

• 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

External links

• PDB: RCSB:3ta4, PDBe:3ta4, PDBj:3ta4
• PDBsum: 3ta4
• PubMed: 24870309
• UniProt: J9PBQ8