Structure of PDB 5b34 Chain A Binding Site BS02

Receptor Information
>5b34 Chain A (length=224) Species: 2242 (Halobacterium salinarum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTM
YLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQG
TILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGF
TSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETL
LFMVLDVSAKVGFGLILLRSRAIF
Ligand information
Ligand ID4QL
InChIInChI=1S/C16H18I3NO5/c1-2-3-4-5-6-7-8(21)20-14-12(18)9(15(22)23)11(17)10(13(14)19)16(24)25/h2-7H2,1H3,(H,20,21)(H,22,23)(H,24,25)
InChIKeySTMIUHPXRYKWPU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4CCCCCCCC(=O)Nc1c(c(c(c(c1I)C(=O)O)I)C(=O)O)I
CACTVS 3.385CCCCCCCC(=O)Nc1c(I)c(C(O)=O)c(I)c(C(O)=O)c1I
FormulaC16 H18 I3 N O5
Name2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid
ChEMBL
DrugBank
ZINCZINC000584905037
PDB chain5b34 Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5b34 Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent
Resolution2.1 Å
Binding residue
(original residue number in PDB)
E166 I222 S226 R227
Binding residue
(residue number reindexed from 1)
E160 I216 S220 R221
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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Cellular Component
External links
PDB RCSB:5b34, PDBe:5b34, PDBj:5b34
PDBsum5b34
PubMed27799539
UniProtP02945|BACR_HALSA Bacteriorhodopsin (Gene Name=bop)

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