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Zinc in PDB 6ct2: Myst Histone Acetyltransferase KAT6A/B in Complex with Wm-1119

Enzymatic activity of Myst Histone Acetyltransferase KAT6A/B in Complex with Wm-1119

All present enzymatic activity of Myst Histone Acetyltransferase KAT6A/B in Complex with Wm-1119:
2.3.1.48;

Protein crystallography data

The structure of Myst Histone Acetyltransferase KAT6A/B in Complex with Wm-1119, PDB code: 6ct2 was solved by B.Ren, T.S.Peat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.91 / 2.13
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 45.892, 56.080, 120.919, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 23.6

Other elements in 6ct2:

The structure of Myst Histone Acetyltransferase KAT6A/B in Complex with Wm-1119 also contains other interesting chemical elements:

Fluorine (F) 2 atoms
Magnesium (Mg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Myst Histone Acetyltransferase KAT6A/B in Complex with Wm-1119 (pdb code 6ct2). 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 Myst Histone Acetyltransferase KAT6A/B in Complex with Wm-1119, PDB code: 6ct2:

Zinc binding site 1 out of 1 in 6ct2

Go back to Zinc Binding Sites List in 6ct2
Zinc binding site 1 out of 1 in the Myst Histone Acetyltransferase KAT6A/B in Complex with Wm-1119


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Myst Histone Acetyltransferase KAT6A/B in Complex with Wm-1119 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn802

b:20.8
occ:1.00
NE2 A:HIS556 2.1 29.0 1.0
SG A:CYS540 2.3 21.3 1.0
SG A:CYS560 2.3 27.3 1.0
SG A:CYS543 2.3 21.2 1.0
CD2 A:HIS556 3.0 26.5 1.0
CB A:CYS560 3.1 28.5 1.0
CB A:CYS540 3.1 18.3 1.0
CE1 A:HIS556 3.2 27.6 1.0
CB A:CYS543 3.2 20.8 1.0
N A:CYS543 3.8 18.4 1.0
CA A:CYS543 4.1 18.9 1.0
CG A:HIS556 4.2 26.7 1.0
ND1 A:HIS556 4.2 27.6 1.0
CA A:CYS560 4.5 30.6 1.0
CA A:CYS540 4.6 20.6 1.0
C A:CYS543 4.8 20.8 1.0
C A:TYR542 4.9 24.9 1.0
N A:LEU544 5.0 19.5 1.0
CB A:LYS545 5.0 20.4 1.0
CB A:TYR542 5.0 19.6 1.0
CB A:TRP562 5.0 31.6 1.0

Reference:

J.B.Baell, D.J.Leaver, S.J.Hermans, G.L.Kelly, M.S.Brennan, N.L.Downer, N.Nguyen, J.Wichmann, H.M.Mcrae, Y.Yang, B.Cleary, H.R.Lagiakos, S.Mieruszynski, G.Pacini, H.K.Vanyai, M.I.Bergamasco, R.E.May, B.K.Davey, K.J.Morgan, A.J.Sealey, B.Wang, N.Zamudio, S.Wilcox, A.L.Garnham, B.N.Sheikh, B.J.Aubrey, K.Doggett, M.C.Chung, M.De Silva, J.Bentley, P.Pilling, M.Hattarki, O.Dolezal, M.L.Dennis, H.Falk, B.Ren, S.A.Charman, K.L.White, J.Rautela, A.Newbold, E.D.Hawkins, R.W.Johnstone, N.D.Huntington, T.S.Peat, J.K.Heath, A.Strasser, M.W.Parker, G.K.Smyth, I.P.Street, B.J.Monahan, A.K.Voss, T.Thomas. Inhibitors of Histone Acetyltransferases KAT6A/B Induce Senescence and Arrest Tumour Growth. Nature V. 560 253 2018.
ISSN: ESSN 1476-4687
PubMed: 30069049
DOI: 10.1038/S41586-018-0387-5
Page generated: Wed Dec 16 11:37:55 2020

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