Structure of PDB 6btm Chain E Binding Site BS01

Receptor Information

>6btm Chain E (length=161) Species: 376686 (Flavobacterium johnsoniae UW101)

HNNSAPNYQYFPNMYESVAYEPYTEAKIFKGGKEGQLPVEGTINRGFEPY
EYENSTAGYELAKANLKSPLTEEEKNSGKGKELFEIYCISCHGAAGNGKG
KLVEREKFLGVPSYKDREITEGSIFHVETYGLNAMGSHANQLSAHERWLV
ADYVLKLKSQL

Ligand information

• Ligand ID: E87
• InChI: InChI=1S/C44H85NO6S/c1-4-7-10-13-16-18-20-22-25-28-31-34-43(48)50-37-41(51-44(49)35-32-29-26-23-21-19-17-14-11-8-5-2)39-52-38-40(36-46)45-42(47)33-30-27-24-15-12-9-6-3/h40-41,46H,4-39H2,1-3H3,(H,45,47)/t40-,41-/m1/s1
• InChIKey: XFKPIMKYVGTUPF-GYOJGHLZSA-N
• SMILES:
  ACDLabs 12.01: C(CCCCCCCC)C(NC(CO)CSCC(OC(CCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCC)=O
  OpenEye OEToolkits 2.0.6: CCCCCCCCCCCCCC(=O)OCC(CSCC(CO)NC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCC
  CACTVS 3.385: CCCCCCCCCCCCCC(=O)OC[CH](CSC[CH](CO)NC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCC
  CACTVS 3.385
  OpenEye OEToolkits 2.0.6: CCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](CO)NC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCC
• Formula: C44 H85 N O6 S
• Name: (2R)-3-{[(2R)-2-(decanoylamino)-3-hydroxypropyl]sulfanyl}propane-1,2-diyl ditetradecanoate
• PDB chain: 6btm Chain B Residue 1103

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6btm Structure of the alternative complex III in a supercomplex with cytochrome oxidase.
• Resolution: 3.4 Å
• Binding residue (original residue number in PDB): Y28 Q29
• Binding residue (residue number reindexed from 1): Y8 Q9
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0009055 electron transfer activity
• GO:0020037 heme binding

External links

• PDB: RCSB:6btm, PDBe:6btm, PDBj:6btm
• PDBsum: 6btm
• PubMed: 29695868
• UniProt: A5FJF5