Structure of PDB 4uc3 Chain A Binding Site BS01

Receptor Information
>4uc3 Chain A (length=143) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDWALFLTFLAACGAPATTGALLKPDPPRWVFPLAWTSLYFLMSLAAMRV
AQLEGSGQALAFYAAQLAFNTLWTPVFFGMKRMATALAVVMVMWLFVAAT
MWAFFQLDTWAGVLFVPYLIWATAATGLNFEAMRLNWNRPEAR
Ligand information
Ligand IDYZY
InChIInChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-/t35-/m0/s1
InChIKeyDOZKMFVMCATMEH-OZKTZCCCSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC
ACDLabs 12.01O=C(OC(CO)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCCCCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCCCCC=CCCCCCCCC
FormulaC37 H70 O5
Name(2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate
ChEMBL
DrugBank
ZINCZINC000040164793
PDB chain4uc3 Chain A Residue 203 [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]
PDB4uc3 Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		F46 W50 L53 L56 W135
Binding residue
(residue number reindexed from 1)		F32 W36 L39 L42 W121
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008289 lipid binding
GO:0042802 identical protein binding
GO:0046906 tetrapyrrole binding
Biological Process
GO:0033013 tetrapyrrole metabolic process
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4uc3, PDBe:4uc3, PDBj:4uc3
PDBsum4uc3
PubMed25635101
UniProtQ9RFC8|TSPO_CERSP Tryptophan-rich sensory protein (Gene Name=tspO)

[Back to BioLiP]