Zinc in PDB 8dd5: Crystal Structure of KAT6A in Complex with Inhibitor Ctx-648 (Pf-9363)

All present enzymatic activity of Crystal Structure of KAT6A in Complex with Inhibitor Ctx-648 (Pf-9363):
2.3.1.48;

The structure of Crystal Structure of KAT6A in Complex with Inhibitor Ctx-648 (Pf-9363), PDB code: 8dd5 was solved by S.E.Greasley, E.Johnson, O.Brodsky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.36 / 2.58
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	59.63, 59.63, 209.89, 90, 90, 90
R / Rfree (%)	23.2 / 26.3

The binding sites of Zinc atom in the Crystal Structure of KAT6A in Complex with Inhibitor Ctx-648 (Pf-9363) (pdb code 8dd5). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of KAT6A in Complex with Inhibitor Ctx-648 (Pf-9363), PDB code: 8dd5:

Zinc binding site 1 out of 1 in the Crystal Structure of KAT6A in Complex with Inhibitor Ctx-648 (Pf-9363)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of KAT6A in Complex with Inhibitor Ctx-648 (Pf-9363) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn802 b:89.4 occ:1.00 SG A:CYS543 2.1 77.5 1.0 NE2 A:HIS556 2.4 108.9 1.0 SG A:CYS540 2.5 83.8 1.0 SG A:CYS560 2.6 101.9 1.0 CB A:CYS543 2.8 73.6 1.0 CD2 A:HIS556 3.2 109.1 1.0 CB A:CYS540 3.3 79.8 1.0 CB A:CYS560 3.3 97.8 1.0 CE1 A:HIS556 3.5 108.6 1.0 N A:CYS543 3.9 72.2 1.0 CA A:CYS543 3.9 72.6 1.0 CG A:HIS556 4.4 107.1 1.0 ND1 A:HIS556 4.6 109.2 1.0 CA A:CYS560 4.7 97.0 1.0 C A:CYS543 4.7 75.4 1.0 CA A:CYS540 4.7 79.5 1.0 CB A:LYS545 4.8 86.2 1.0 C A:PHE542 4.9 76.0 1.0

S.Sharma, J.Chung, S.Uryu, A.Rickard, N.Nady, J.Cao, S.E.Greasley, O.Brodsky, S.Khan, H.Wang, Z.Wang, Y.Zhang, K.Tsaparikos, L.Chen, A.Mazurek, J.Lapek, P.P.Kung, S.Sutton, P.A.Richardson, E.Greenwald, S.Yamazaki, R.Jones, K.Maegley, P.Bingham, H.Lam, A.E.Stupple, A.Kamal, A.Chueh, A.Cuzzupe, B.Morrow, B.Ren, C.Carrasco-Pozo, T.W.Tan, D.Bhuva, E.Allan, E.Surgenor, F.Vaillant, H.Pehlivanoglu, H.Falk, J.Whittle, J.M.Newman, J.Cursons, J.P.Doherty, K.L.White, L.Macpherson, M.Devlin, M.L.Dennis, M.K.Hattarki, M.De Silva, M.A.Camerino, M.S.Butler, O.Dolezal, P.Pilling, R.Foitzik, P.A.Stupple, R.Lagiakos, S.Walker, S.Hediyeh-Zadeh, S.Nuttall, S.Spall, S.A.Charman, T.Connor, T.S.Peat, V.M.Avery, Y.E.Bozikis, Y.Yang, M.Zhang, B.J.Monahan, A.K.Voss, T.Thomas, I.P.Street, S.J.Dawson, M.Dawson, G.J.Lindeman, M.Davis, J.E.Visvader, T.A.Paul. Targeting KAT6A/KAT6B Dependencies in Breast Cancer with A Novel Selective, Orally Bioavailable KAT6 Inhibitor, Ctx-648/Pf-9363 To Be Published.