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Zinc in PDB 6owi: Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 85

Enzymatic activity of Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 85

All present enzymatic activity of Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 85:
2.3.1.48;

Protein crystallography data

The structure of Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 85, PDB code: 6owi 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) 26.89 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.370, 56.790, 121.700, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 23.5

Other elements in 6owi:

The structure of Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 85 also contains other interesting chemical elements:

Fluorine (F) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 85 (pdb code 6owi). 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 85, PDB code: 6owi:

Zinc binding site 1 out of 1 in 6owi

Go back to Zinc Binding Sites List in 6owi
Zinc binding site 1 out of 1 in the Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 85


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 85 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:13.9
occ:1.00
 NE2 A:HIS556 2.1 11.0 1.0
SG A:CYS540 2.3 12.4 1.0
SG A:CYS543 2.4 13.9 1.0
SG A:CYS560 2.4 15.9 1.0
CD2 A:HIS556 3.1 12.4 1.0
CE1 A:HIS556 3.1 14.7 1.0
CB A:CYS540 3.1 12.2 1.0
CB A:CYS560 3.2 14.3 1.0
CB A:CYS543 3.4 12.7 1.0
N A:CYS543 3.9 10.7 1.0
O A:HOH1014 4.2 21.5 1.0
CA A:CYS543 4.2 10.1 1.0
ND1 A:HIS556 4.2 13.3 1.0
CG A:HIS556 4.2 12.3 1.0
CA A:CYS540 4.6 9.9 1.0
CA A:CYS560 4.6 14.8 1.0
C A:CYS543 4.9 12.0 1.0
CB A:LYS545 4.9 11.3 1.0

Reference:

D.L.Priebbenow, D.J.Leaver, N.Nguyen, B.Cleary, 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, D.M.Shackleford, K.Katneni, M.Cuellar, J.M.Strasser, J.L.Dahlin, M.A.Walters, I.P.Street, B.J.Monahan, K.E.Jarman, H.Jousset Sabroux, H.Falk, M.C.Chung, S.J.Hermans, N.L.Downer, M.W.Parker, A.K.Voss, T.Thomas, J.B.Baell. Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, As Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 32118427
DOI: 10.1021/ACS.JMEDCHEM.9B02071
Page generated: Tue Oct 29 04:36:37 2024

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