Structure of PDB 4xu6 Chain A Binding Site BS01

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 304 [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)		H26 F49 V53 Y90 E139 Y150 Y168 F171
Binding residue
(residue number reindexed from 1)		H26 F49 V53 Y90 E139 Y150 Y168 F171
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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