Structure of PDB 3ddl Chain A Binding Site BS02

Receptor Information
>3ddl Chain A (length=252) Species: 146919 (Salinibacter ruber) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELPTLTPGQYSLVFNMFSFTVATMTASFVFFVLARNNVAPKYRISMMVSA
LVVFIAGYHYFRITSSWEAAYALQNGMYQPTGELFNDAYRYVDWLLTVPL
LTVELVLVMGLPKNERGPLAAKLGFLAALMIVLGYPGEVSENAALFGTRG
LWGFLSTIPFVWILYILFTQLGDTIQRQSSRVSTLLGNARLLLLATWGFY
PIAYMIPMPSNTPGTIVALQVGYTIADVLAKAGYGVLIYNIAKAKSEEEG
FN
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 chain3ddl Chain A Residue 1301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ddl Crystallographic structure of xanthorhodopsin, the light-driven proton pump with a dual chromophore.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		V101 M133 S159 F163 W200 Y203 P204 Y207 D236 K240
Binding residue
(residue number reindexed from 1)		V98 M130 S156 F160 W197 Y200 P201 Y204 D227 K231
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009881 photoreceptor activity
GO:0010461 light-activated monoatomic ion channel 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:3ddl, PDBe:3ddl, PDBj:3ddl
PDBsum3ddl
PubMed18922772
UniProtQ2S2F8

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