Structure of PDB 1q90 Chain D Binding Site BS03

Receptor Information
>1q90 Chain D (length=156) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKKPDLSDPVLKAKLAKGMGHNTYGEPAWPNDLLYMFPVVILGTFACVIG
LSVLDPAAMGEPANPFATPLEILPEWYFYPVFQILRVVPNKLLGVLLMAA
VPAGLITVPFIESINKFQNPYRRPIATILFLLGTLVAVWLGIGSTFPIDI
SLTLGL
Ligand information
Ligand IDTDS
InChIInChI=1S/C25H38O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-18(2)23(26)22-20(28-3)17-21(29-4)24(27)25(22)30-19/h17,27H,5-16H2,1-4H3
InChIKeyLSHATXKKRQGSEC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCCCCC1=C(C)C(=O)c2c(OC)cc(OC)c(O)c2O1
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C
ACDLabs 10.04O=C1c2c(OC(=C1C)CCCCCCCCCCCCC)c(O)c(OC)cc2OC
FormulaC25 H38 O5
Name8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE;
TRIDECYL-STIGMATELLIN
ChEMBL
DrugBank
ZINCZINC000058661093
PDB chain1q90 Chain D Residue 920 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1q90 An Atypical Haem in the Cytochrome B6F Complex
Resolution3.1 Å
Binding residue
(original residue number in PDB)		I75 P77 F85 M101
Binding residue
(residue number reindexed from 1)		I72 P74 F82 M98
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E78
Catalytic site (residue number reindexed from 1) E75
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008121 ubiquinol-cytochrome-c reductase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0045156 electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity
GO:0045158 electron transporter, transferring electrons within cytochrome b6/f complex of photosystem II activity
Biological Process
GO:0006122 mitochondrial electron transport, ubiquinol to cytochrome c
GO:0009767 photosynthetic electron transport chain
GO:0015979 photosynthesis
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0009507 chloroplast
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane
GO:0042651 thylakoid membrane
GO:0045275 respiratory chain complex III

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1q90, PDBe:1q90, PDBj:1q90
PDBsum1q90
PubMed14647374
UniProtP23230|PETD_CHLRE Cytochrome b6-f complex subunit 4 (Gene Name=petD)

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