Structure of PDB 4xu6 Chain A Binding Site BS02

Receptor Information
>4xu6 Chain A (length=189) Species: 350058 (Mycolicibacterium vanbaalenii PYR-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRLRISEAVVLFLLGAVAALIGDHSHVVTGTTVYHTDAVPFVWSSPFWFP
ILVGAATASLAELRLHLPAPRDGVTACQALGGVAAVVGTYVTTALVHAFP
VVPVTALVAAAAAITWCVLGDGPGAAAGVVIAVIGPAVEIALVQLGVFAY
HPDSDGLFGVAPFLAPLYFAFGVVAALLGELAVARRPQL
Ligand information
Ligand IDTDA
InChIInChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKeySZHOJFHSIKHZHA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCC(=O)O
CACTVS 3.341CCCCCCCCCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCCCCCCCCC
FormulaC13 H26 O2
NameN-TRIDECANOIC ACID
ChEMBLCHEMBL107874
DrugBankDB02448
ZINCZINC000001628119
PDB chain4xu6 Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xu6 PROTEIN STRUCTURE. Crystal structure of a mycobacterial Insig homolog provides insight into how these sensors monitor sterol levels
Resolution1.898 Å
Binding residue
(original residue number in PDB)		F49 L142 Y168
Binding residue
(residue number reindexed from 1)		F49 L142 Y168
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008289 lipid binding
GO:0042802 identical protein binding
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:4xu6, PDBe:4xu6, PDBj:4xu6
PDBsum4xu6
PubMed26160948
UniProtA1T557|INSIG_MYCVP INSIG protein homolog (Gene Name=Mvan_1475)

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