Structure of PDB 4fbz Chain A Binding Site BS02

Receptor Information
>4fbz Chain A (length=238) Species: 121872 (Natrinema thermotolerans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAATVGPESIWLWIGTIGMTLGTLYFVGRGRGVRDRKMQEFYIITTFITT
IAAAMYFAMATGFGVTEVVVGDEALTIYWARYADWLFTTPLLLLDLGLLA
GANRNTIATLIGLDVFMIGTGMIAAFAATPGTRIAWWGISTGALLALLYV
LVGTLSKDARGQSPEVASLFGRLRNLVIVLWLLYPVVWILGTEGTFGILP
LYWETAAFMVLDLSAKVGFGVVLLRSRSVLRRVVTPTA
Ligand information
Ligand ID22B
InChIInChI=1S/C50H76O4/c1-39(23-17-25-41(3)27-19-29-43(5)31-33-45(49(11,12)53)35-37-47(7,8)51)21-15-16-22-40(2)24-18-26-42(4)28-20-30-44(6)32-34-46(50(13,14)54)36-38-48(9,10)52/h15-34,45-46,51-54H,35-38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20?,33-31+,34-32?,39-21+,40-22+,41-25+,42-26?,43-29+,44-30?/t45-,46?/m1/s1
InChIKeyUVCQMCCIAHQDAF-CUMPQFAQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H](CCC(C)(C)O)C(C)(C)O
CACTVS 3.341CC(=C\C=C\C=C(C)\C=C\C=C(C)\C=CC=C(C)C=CC(CCC(C)(C)O)C(C)(C)O)/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](CCC(C)(C)O)C(C)(C)O
ACDLabs 10.04OC(CCC(/C=C\C(=C\C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(CCC(O)(C)C)C(O)(C)C)C)C)C)C)C)C)C(O)(C)C)(C)C
OpenEye OEToolkits 1.5.0CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(CCC(C)(C)O)C(C)(C)O)C=CC=C(C)C=CC=C(C)C=CC(CCC(C)(C)O)C(C)(C)O
CACTVS 3.341CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(CCC(C)(C)O)C(C)(C)O)C=CC=C(C)C=CC=C(C)C=C[CH](CCC(C)(C)O)C(C)(C)O
FormulaC50 H76 O4
NameBACTERIORUBERIN
ChEMBL
DrugBank
ZINC
PDB chain4fbz Chain A Residue 302 [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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PDB4fbz Crystal structure of deltarhodopsin-3 from Haloterrigena thermotolerans
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G30 R31 Q39 I43 T46 F47 T50
Binding residue
(residue number reindexed from 1)		G30 R31 Q39 I43 T46 F47 T50
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0009881 photoreceptor activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0007602 phototransduction
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4fbz, PDBe:4fbz, PDBj:4fbz
PDBsum4fbz
PubMed23625688
UniProtI4DST7

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