Structure of PDB 6adq Chain P Binding Site BS03

Receptor Information
>6adq Chain P (length=92) Species: 1445611 (Mycolicibacterium smegmatis MC2 51) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSSTQDRSQLDPEVERHTGVDVEDVPSAEWGWSHMPIGVMHIGGLLSAAF
LLVMMRGNHVGHVEDWFLIGFAAVIVALVGRNWWLRRRGWIR
Ligand information
Ligand ID9XX
InChIInChI=1S/C38H74O4/c1-5-7-9-11-13-14-15-16-17-18-19-24-28-32-37(39)41-34-36(4)42-38(40)33-29-25-21-20-23-27-31-35(3)30-26-22-12-10-8-6-2/h35-36H,5-34H2,1-4H3/t35-,36-/m0/s1
InChIKeyLWLNRPPCJIGPLI-ZPGRZCPFSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](C)OC(=O)CCCCCCCC[CH](C)CCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCC(C)CCCCCCCC
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCC[C@@H](C)CCCCCCCC
ACDLabs 12.01C(CCC(OC(COC(CCCCCCCCCCCCCCC)=O)C)=O)CCCCCC(CCCCCCCC)C
FormulaC38 H74 O4
Name(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate;
(S)-1-(palmitoyloxy)propan-2-yl (S)-10-methyloctadecanoate
ChEMBL
DrugBank
ZINC
PDB chain6adq Chain W Residue 204 [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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PDB6adq An electron transfer path connects subunits of a mycobacterial respiratory supercomplex.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		V71 W74 F75 F79
Binding residue
(residue number reindexed from 1)		V63 W66 F67 F71
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:6adq, PDBe:6adq, PDBj:6adq
PDBsum6adq
PubMed30361386
UniProtA0QVH4

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