Structure of PDB 6fvj Chain B Binding Site BS01

Receptor Information
>6fvj Chain B (length=212) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAPTLYIFPHAGGTAKDYVAFSREFSADVKRIAVQYPGLESIPTLADEIF
AMMKPSARIDDPVAFFGHSMGGMLAFEVALRYQSAGHRVLAFFVSACSAP
GHIRYKQLQDLSDREMLDLFTRMFVGALPTLRAVRAIAGYSCPPETKLSC
PIYAFIGDKDWIATQDDMDPWRDRTTEEFSIRVFPGDHFYLNDNLPELVS
DIEDKTLQWHDR
Ligand information
Ligand IDE9H
InChIInChI=1S/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)
InChIKeyZUVCYFMOHFTGDM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCCOP(=O)(O)O
CACTVS 3.385CCCCCCCCCCCCCCCCO[P](O)(O)=O
FormulaC16 H35 O4 P
Namehexadecyl dihydrogen phosphate
ChEMBLCHEMBL479322
DrugBank
ZINCZINC000044431734
PDB chain6fvj Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6fvj Biochemical and Structural Characterization of TesA, a Major Thioesterase Required for Outer-Envelope Lipid Biosynthesis in Mycobacterium tuberculosis.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		A37 S104 M105
Binding residue
(residue number reindexed from 1)		A11 S69 M70
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.6: acetylesterase.
3.1.2.-
3.1.2.2: palmitoyl-CoA hydrolase.
Gene Ontology
Molecular Function
GO:0008126 acetylesterase activity
GO:0016787 hydrolase activity
GO:0047617 fatty acyl-CoA hydrolase activity
Biological Process
GO:0006629 lipid metabolic process
GO:0008610 lipid biosynthetic process
GO:0009058 biosynthetic process
GO:0052167 symbiont-mediated perturbation of host innate immune response
GO:0071770 DIM/DIP cell wall layer assembly
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6fvj, PDBe:6fvj, PDBj:6fvj
PDBsum6fvj
PubMed30292819
UniProtP9WQD5|TESA_MYCTU Thioesterase TesA (Gene Name=tesA)

[Back to BioLiP]