Structure of PDB 8tpj Chain F Binding Site BS01

Receptor Information
>8tpj Chain F (length=160) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIVTKSIVNADAEARYLSPGELDRIKAFVTGGAARLRIAETLTGSRETIV
KQAGDRLFQKRPDIVSPGGNAYGEEMTATCLRDMDYYLRLVTYGVVSGDV
TPIEEIGLVGVREMYRSLGTPIEAVAQSVREMKEVASGLMSSDDAAEASA
YFDFVIGKMS
Ligand information
Ligand IDCYC
InChIInChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1
InChIKeyVXTXPYZGDQPMHK-GMXXPEQVSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC[C@@H]1[C@@H](C)C(=O)N\C1=C/c2[nH]c(\C=C3/N=C(\C=C4/NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
CACTVS 3.385CC[CH]1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
OpenEye OEToolkits 1.7.6CCC1C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
OpenEye OEToolkits 1.7.6CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
FormulaC33 H40 N4 O6
NamePHYCOCYANOBILIN
ChEMBL
DrugBank
ZINCZINC000058632644
PDB chain8tpj Chain F Residue 200 [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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PDB8tpj Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		N71 M77 T80 C81 R83 D84 Y87 Y88 M115 L119 T121 A125 V126 S129
Binding residue
(residue number reindexed from 1)		N70 M76 T79 C80 R82 D83 Y86 Y87 M114 L118 T120 A124 V125 S128
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0009579 thylakoid
GO:0016020 membrane
GO:0030089 phycobilisome
GO:0031676 plasma membrane-derived thylakoid membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8tpj, PDBe:8tpj, PDBj:8tpj
PDBsum8tpj
PubMed38578996
UniProtQ01951|PHAA_SYNY3 Allophycocyanin alpha chain (Gene Name=apcA)

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