Structure of PDB 1f99 Chain A Binding Site BS01

Receptor Information
>1f99 Chain A (length=162) Species: 65404 (Polysiphonia urceolata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTPLTEAIAAADSQGRFLSNTELQVVNGRYNRATSSLEAAKALTANADR
LISGAANAVYSKFPYTTQMPGPNYSSTAIGKAKCARDIGYYLRMVTYCLV
VGGTGPMDDYLVAGLEEINRTFELSPSWYIEALKYIKNNHGLSGDVANEA
NTYIDYAINTLS
Ligand information
Ligand IDBLA
InChIInChI=1S/C33H34N4O6/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/h7-8,13-15,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-
InChIKeyGWZYPXHJIZCRAJ-SRVCBVSDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C=C)C)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O
OpenEye OEToolkits 1.5.0Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C=C)C)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O
CACTVS 3.341Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C4C)C=C
CACTVS 3.341Cc1c([nH]c(\C=C2/N=C(\C=C3/NC(=O)C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)\C=C4/NC(=O)C(=C4C)C=C
FormulaC33 H34 N4 O6
NameBILIVERDINE IX ALPHA
ChEMBL
DrugBank
ZINCZINC000103534374
PDB chain1f99 Chain A Residue 384 [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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PDB1f99 Crystal structure of R-phycocyanin and possible energy transfer pathways in the phycobilisome.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		T66 P72 N73 Y74 S75 G80 K83 C84 R86 D87 Y90 I118 F122 L124 W128 Y129
Binding residue
(residue number reindexed from 1)		T66 P72 N73 Y74 S75 G80 K83 C84 R86 D87 Y90 I118 F122 L124 W128 Y129
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:1f99, PDBe:1f99, PDBj:1f99
PDBsum1f99
PubMed11463658
UniProtP59858|PHCA_POLUR R-phycocyanin alpha chain (Gene Name=rpcA)

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