Structure of PDB 6gpv Chain A Binding Site BS02

Receptor Information
>6gpv Chain A (length=109) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDQ
ATVQKIRDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFI
GVQLDGEFI
Ligand information
Ligand IDLUM
InChIInChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
InChIKeyZJTJUVIJVLLGSP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3
CACTVS 3.341Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C
ACDLabs 10.04O=C1c2nc3c(nc2NC(=O)N1)cc(c(c3)C)C
FormulaC12 H10 N4 O2
NameLUMICHROME;
7,8-DIMETHYLALLOXAZINE;
6,7-DIMETHYLALLOXAZINE
ChEMBLCHEMBL1234101
DrugBankDB04345
ZINCZINC000012446789
PDB chain6gpv Chain A Residue 1004 [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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PDB6gpv Tailing miniSOG: structural bases of the complex photophysics of a flavin-binding singlet oxygen photosensitizing protein.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		T8 G40 L43 Q44 N72 N82 L84 L86 F99 G101 Q103
Binding residue
(residue number reindexed from 1)		T8 G40 L43 Q44 N72 N82 L84 L86 F99 G101 Q103
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
External links
PDB RCSB:6gpv, PDBe:6gpv, PDBj:6gpv
PDBsum6gpv
PubMed30787421
UniProtP93025|PHOT2_ARATH Phototropin-2 (Gene Name=PHOT2)

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