Structure of PDB 6kme Chain A Binding Site BS01

Receptor Information
>6kme Chain A (length=284) Species: 4081 (Solanum lycopersicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSYKKLIHFALEETNTHTLLSPSPLQEKYSSLLSMDDKTELQMLSFEAHK
IRLLRSLCIEGSDGMQVLDFAAFPKPEFDLPIFCANFFTTAKMNIIVLDL
NPLHDIMDQEDYKEKYYKDLITLGLKYSKLLPWGGKLTSESLRFFSPIVI
WTRFSSSPHNHSVLFSAFKDYYQAWLGLMDRSEGETDASQIACNCEAQHR
YLTWRSEKDPGHGVLKRLIGEDLAKDVITKFLFNGVNELGNKTFLDYFPE
YRCEDGKVNEKRSMIGKSFENRPWNARGEFIGDR
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 chain6kme Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6kme Crystal structure of phytochromobilin synthase in complex with biliverdin IX alpha , a key enzyme in the biosynthesis of phytochrome.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		V121 N140 F142 I149 L191 T192 S195 F199 W205 R259 P264 G265 V268 R316
Binding residue
(residue number reindexed from 1)		V67 N86 F88 I95 L137 T138 S141 F145 W151 R205 P210 G211 V214 R262
Annotation score5
Enzymatic activity
Enzyme Commision number 1.3.7.4: phytochromobilin:ferredoxin oxidoreductase.
Gene Ontology
Molecular Function
GO:0016636 oxidoreductase activity, acting on the CH-CH group of donors, iron-sulfur protein as acceptor
GO:0050897 cobalt ion binding
Biological Process
GO:0010024 phytochromobilin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6kme, PDBe:6kme, PDBj:6kme
PDBsum6kme
PubMed31822504
UniProtQ588D6

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