Structure of PDB 1kn1 Chain A Binding Site BS01

Receptor Information
>1kn1 Chain A (length=160) Species: 2788 (Neopyropia yezoensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIVTKSIVNADAEARYLSPGELDRIKSFVLSGARRVRIAQTLTENRERIV
KQAGDQLFQKRPDVVSPGGNAYGEEMTATCLRDLDYYLRLVTYGIVSGDV
TPIEEIGLVGVREMYKSLGTPISAVAEGVKCMKSVASSLLSGEDSAEAGF
YFDYVVGAMQ
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 chain1kn1 Chain A Residue 184 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kn1 Crystal structure of Allophycocyanin from red algae Porphyra yezoensis at 2.2 A resolution
Resolution2.2 Å
Binding residue
(original residue number in PDB)		N72 M80 T83 C84 R86 D87 Y91 M118 T124 A128
Binding residue
(residue number reindexed from 1)		N70 M76 T79 C80 R82 D83 Y87 M114 T120 A124
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0009507 chloroplast
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane
GO:0030089 phycobilisome

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1kn1, PDBe:1kn1, PDBj:1kn1
PDBsum1kn1
PubMed10358042
UniProtP59856|PHAA_NEOYE Allophycocyanin alpha chain (Gene Name=apcA)

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