Structure of PDB 1kn1 Chain B Binding Site BS01

Receptor Information
>1kn1 Chain B (length=161) Species: 2788 (Neopyropia yezoensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQDAITSVINSSDVQGKYLDSSAIEKLKGYFQTGELRVRAATTIAANAAN
IIKEAVAKSLLYSDITRPGGNMYTTRRYAACIRDLDYYLRYATYAMLAGD
PSILDERVLNGLKETYNSLGVPIGATIQAIQAMKEVTSGLVGPDAGKEMG
LYFDYICSGLS
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 B 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 R79 C84 R86 D87 Y90 R110 L122 V124 P125
Binding residue
(residue number reindexed from 1)		N71 R76 C81 R83 D84 Y87 R107 L119 V121 P122
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
UniProtP59857|APCB_NEOYE Allophycocyanin beta chain (Gene Name=apcB)

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