Structure of PDB 6loe Chain A Binding Site BS06

Receptor Information
>6loe Chain A (length=218) Species: 383372 (Roseiflexus castenholzii DSM 13941) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVFDRRANTLARVSIFAGIPLVLAILGGVWWLFGWSDWHRDVGVEIPQPG
GGFNHQLHVALGMDCRYCHTAVEVSAHANIPPTETCMGCHSQIISRSEKV
AFVWQSWETGTSIQWNKVHDLPKFVYFNHSIHVAKGVGCSTCHGRIDQMR
VVYKTQPLFMSWCLDCHRNPEKYVRPREEVFNMAWTPPPNQLEVGRRLVQ
EYEIRSSWELTNCAICHR
Ligand information
Ligand IDEL6
InChIInChI=1S/C39H76O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(40)42-36-37(3)43-39(41)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37H,4-36H2,1-3H3/t37-/m0/s1
InChIKeyJEMDXOYRWHZUCG-QNGWXLTQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCCCC
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[CH](C)OC(=O)CCCCCCCCCCCCCCCCC
FormulaC39 H76 O4
Name[(2S)-2-octadecanoyloxypropyl] octadecanoate
ChEMBL
DrugBank
ZINCZINC000101683508
PDB chain6loe Chain E Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6loe Cryo-EM structures of the air-oxidized and dithionite-reduced photosynthetic alternative complex III from Roseiflexus castenholzii .
Resolution3.5 Å
Binding residue
(original residue number in PDB)		V37 F41
Binding residue
(residue number reindexed from 1)		V29 F33
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:6loe, PDBe:6loe, PDBj:6loe
PDBsum6loe
PubMed32832681
UniProtA7NJ87

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