Structure of PDB 1q90 Chain N Binding Site BS01

Receptor Information
>1q90 Chain N (length=31) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEPAIVQIGWAATCVMFSFSLSLVVWGRSGL
Ligand information
Ligand IDBCR
InChIInChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
InChIKeyOENHQHLEOONYIE-JLTXGRSLSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04C(/C1=C(CCCC1(C)C)C)=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C2=C(C)CCCC2(C)C)C)C)C)C
OpenEye OEToolkits 1.5.0CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C
OpenEye OEToolkits 1.5.0CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(CCCC2(C)C)C)\C)\C
CACTVS 3.341CC1=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C)C(C)(C)CCC1
CACTVS 3.341CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1
FormulaC40 H56
NameBETA-CAROTENE
ChEMBLCHEMBL1293
DrugBankDB06755
ZINCZINC000006845076
PDB chain1q90 Chain B Residue 904 [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)		F84 L88
Binding residue
(residue number reindexed from 1)		F17 L21
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0045158 electron transporter, transferring electrons within cytochrome b6/f complex of photosystem II activity
Biological Process
GO:0017004 cytochrome complex assembly
Cellular Component
GO:0009512 cytochrome b6f complex

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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
UniProtP0C1D4|PETN_CHLRE Cytochrome b6-f complex subunit 8, chloroplastic (Gene Name=PETN)

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