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Zinc in PDB 6pdd: Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 41

Enzymatic activity of Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 41

All present enzymatic activity of Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 41:
2.3.1.48;

Protein crystallography data

The structure of Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 41, PDB code: 6pdd was solved by S.J.Hermans, 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) 43.20 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.177, 57.005, 122.186, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 21.2

Other elements in 6pdd:

The structure of Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 41 also contains other interesting chemical elements:

Fluorine (F) 1 atom
Sodium (Na) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 41 (pdb code 6pdd). 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 41, PDB code: 6pdd:

Zinc binding site 1 out of 1 in 6pdd

Go back to Zinc Binding Sites List in 6pdd
Zinc binding site 1 out of 1 in the Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor 41


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

b:15.0
occ:1.00
 NE2 A:HIS556 2.0 16.7 1.0
SG A:CYS543 2.2 14.9 1.0
SG A:CYS540 2.3 15.5 1.0
SG A:CYS560 2.3 17.5 1.0
CE1 A:HIS556 2.9 16.5 1.0
CD2 A:HIS556 3.1 15.2 1.0
CB A:CYS540 3.1 14.8 1.0
CB A:CYS560 3.1 19.6 1.0
CB A:CYS543 3.2 17.1 1.0
N A:CYS543 3.8 15.7 1.0
O A:HOH1057 4.0 32.5 1.0
ND1 A:HIS556 4.0 15.3 1.0
CA A:CYS543 4.0 17.0 1.0
CG A:HIS556 4.2 16.2 1.0
O A:HOH1082 4.2 35.6 1.0
O A:HOH1091 4.4 36.3 1.0
CA A:CYS560 4.6 22.6 1.0
CA A:CYS540 4.6 19.3 1.0
C A:CYS543 4.7 18.6 1.0
CB A:LYS545 4.9 17.8 1.0
N A:LEU544 4.9 17.6 1.0
C A:TYR542 4.9 15.7 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 04:59:43 2024

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