Structure of PDB 1qhj Chain A Binding Site BS06

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 507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		L149 Y150 F154 S183
Binding residue
(residue number reindexed from 1)		L145 Y146 F150 S179
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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