Structure of PDB 5br2 Chain A Binding Site BS01

Receptor Information
>5br2 Chain A (length=216) Species: 2242 (Halobacterium salinarum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRPEWIWLALGTALMGLGTLYFLVKGMVSDPDAKKFYAITTLVPAIAFTM
YLSMLLGYGLTMVPFQNPIYWARYADWLFTTPLLLLDLALLVDADQGTIL
ALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFMRP
EVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSA
KVGFGLILLRSRAIFG
Ligand information
Ligand IDRET
InChIInChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChIKeyNCYCYZXNIZJOKI-OVSJKPMPSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
ACDLabs 12.01O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C
OpenEye OEToolkits 1.7.0CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
OpenEye OEToolkits 1.7.0CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C
CACTVS 3.370CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
FormulaC20 H28 O
NameRETINAL
ChEMBLCHEMBL81379
DrugBank
ZINCZINC000004228262
PDB chain5br2 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5br2 Integral Membrane Proteins Can Be Crystallized Directly from Nanodiscs
Resolution1.8 Å
Binding residue
(original residue number in PDB)		W86 T90 M118 W138 S141 W182 Y185 P186 W189 K216
Binding residue
(residue number reindexed from 1)		W77 T81 M109 W129 S132 W167 Y170 P171 W174 K201
Annotation score4
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
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Biological Process
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Cellular Component
External links
PDB RCSB:5br2, PDBe:5br2, PDBj:5br2
PDBsum5br2
PubMed
UniProtP02945|BACR_HALSA Bacteriorhodopsin (Gene Name=bop)

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