Structure of PDB 1qhj Chain A Binding Site BS05

Receptor Information
>1qhj Chain A (length=228) Species: 2242 (Halobacterium salinarum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAF
TMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDAD
QGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFF
GFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIE
TLLFMVLDVSAKVGFGLILLRSRAIFGE
Ligand information
Ligand IDPH1
InChIInChI=1S/C43H88O2/c1-35(2)18-12-20-37(5)22-14-24-39(7)26-16-28-41(9)30-32-44-34-43(11)45-33-31-42(10)29-17-27-40(8)25-15-23-38(6)21-13-19-36(3)4/h35-43H,12-34H2,1-11H3/t37-,38-,39-,40-,41-,42-,43+/m0/s1
InChIKeyICKFQWWHLUUVMF-FYYCEQFTSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)CC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)C
CACTVS 3.341CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](C)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H](C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(C)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C
FormulaC43 H88 O2
Name1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE;
PHYTANYL MOIETY
ChEMBL
DrugBank
ZINCZINC000024791085
PDB chain1qhj Chain A Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qhj Protein, lipid and water organization in bacteriorhodopsin crystals: a molecular view of the purple membrane at 1.9 A resolution.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T107 A110 I117 I140 A144 Y147 Y150
Binding residue
(residue number reindexed from 1)		T103 A106 I113 I136 A140 Y143 Y146
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0009881 photoreceptor activity
GO:0015454 light-driven active monoatomic ion transmembrane transporter activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0007602 phototransduction
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1qhj, PDBe:1qhj, PDBj:1qhj
PDBsum1qhj
PubMed10467143
UniProtP02945|BACR_HALSA Bacteriorhodopsin (Gene Name=bop)

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