Zinc in PDB 6oio: Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 60

All present enzymatic activity of Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 60:
2.3.1.48;

The structure of Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 60, PDB code: 6oio was solved by S.J.Hermans, M.C.Chung, M.W.Parker, T.Thomas, J.B.Baell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	122.11 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.480, 56.820, 122.110, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.1

The binding sites of Zinc atom in the Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 60 (pdb code 6oio). 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 Myst Acetyltransferase Domain in Complex with Inhibitor 60, PDB code: 6oio:

Zinc binding site 1 out of 1 in the Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 60


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 Myst Acetyltransferase Domain in Complex with Inhibitor 60 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn802 b:12.5 occ:1.00 NE2 A:HIS556 2.1 10.5 1.0 SG A:CYS540 2.3 12.2 1.0 SG A:CYS543 2.3 13.3 1.0 SG A:CYS560 2.3 15.2 1.0 CD2 A:HIS556 3.1 11.0 1.0 CE1 A:HIS556 3.1 14.0 1.0 CB A:CYS540 3.2 12.7 1.0 CB A:CYS560 3.2 15.3 1.0 CB A:CYS543 3.3 12.6 1.0 N A:CYS543 3.8 10.4 1.0 CA A:CYS543 4.1 11.8 1.0 ND1 A:HIS556 4.2 13.5 1.0 CG A:HIS556 4.2 11.1 1.0 CA A:CYS540 4.6 10.6 1.0 CA A:CYS560 4.7 14.3 1.0 C A:CYS543 4.9 12.0 1.0 N A:LEU544 5.0 10.7 1.0 CB A:LYS545 5.0 10.4 1.0 C A:TYR542 5.0 12.3 1.0

D.J.Leaver, B.Cleary, N.Nguyen, D.L.Priebbenow, H.R.Lagiakos, J.Sanchez, L.Xue, F.Huang, Y.Sun, P.Mujumdar, R.Mudududdla, S.Varghese, S.Teguh, S.A.Charman, K.L.White, K.Katneni, M.Cuellar, J.M.Strasser, J.L.Dahlin, M.A.Walters, I.P.Street, B.J.Monahan, K.E.Jarman, H.J.Sabroux, H.Falk, M.C.Chung, S.J.Hermans, M.W.Parker, T.Thomas, J.B.Baell. Discovery of Benzoylsulfonohydrazides As Potent Inhibitors of the Histone Acetyltransferase KAT6A. J.Med.Chem. V. 62 7146 2019.
ISSN: ISSN 0022-2623
PubMed: 31256587
DOI: 10.1021/ACS.JMEDCHEM.9B00665