Crystal structure of Tankyrase 2 in complex with 7,3',4'-Trihydroxyflavone

Screening and structural analysis of flavones inhibiting tankyrases.

C-terminal fragment, UNP residues 946-1113

C-terminal fragment, UNP residues 1114-1162

TANK2, ADP-ribosyltransferase diphtheria toxin-like 6, ARTD6, Poly [ADP-ribose] polymerase 5B, TNKS-2, TRF1-interacting ankyrin-related ADP-ribose polymerase 2, Tankyrase II, Tankyrase-like protein, Tankyrase-related protein

MHHHHHHSSGVDLGTENLYFQSMLNTSGSGTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVCN
KKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCP
VHKDRSCYICHRQLLFCRVTLGKSFLQFSAM

0.2 M LiSO4, 0.1 M Tris HCl 24 % PEG3350 , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Tankyrase 2 in comple with a selective inhibitor

Tankyrase 2 in comple with 7-hydroxy -4'-methoxyflavone

Tankyrase 2 in comple with 3'-hydroxyflavone

Tankyrase 2 in comple with 4'-fluoroflavone

Tankyrase 2 in complex with 4'-methylflavone

Tankyrase 2 in complex with 3',4'-Dihydroxyflavone

Tankyrase 2 in complex with 7,3-dihydroxyflavone

AUTHOR STATES THAT THE BACTERIAL EXPRESSED TANKYRASE 2 CATALYTIC DOMAIN (UNP RESIDUES 946-1162) WAS CLEAVED WITH CHYMOTRYPSIN PRODUCING TWO POLYPEPTIDES OF RESIDUES 946-1113 (CHAIN A AND B) AND RESIDUES 1114-1162(CHAIN C AND D).

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

PROTEIN-LIGAND COMPLEX, DIPHTHERIA TOXIN LIKE FOLD, TRANSFERASE, ADP-RIBOSYLATION

LNTSGSGTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVCNKKLWERYTHRRKEVSEENHNHAN
ERMLFHGSPFVNAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRVTLGK
SFLQFSAM