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Zinc in PDB 6ba2: Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor

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

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

Protein crystallography data

The structure of Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor, PDB code: 6ba2 was solved by S.J.Hermans, M.C.Chung, T.S.Peat, J.B.Baell, T.Thomas, M.W.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.19 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.231, 56.916, 120.999, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 22.8

Other elements in 6ba2:

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

Fluorine (F) 1 atom
Chlorine (Cl) 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 (pdb code 6ba2). 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, PDB code: 6ba2:

Zinc binding site 1 out of 1 in 6ba2

Go back to Zinc Binding Sites List in 6ba2
Zinc binding site 1 out of 1 in the Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn802

b:20.1
occ:1.00
NE2 A:HIS556 2.1 21.2 1.0
SG A:CYS543 2.2 20.5 1.0
SG A:CYS540 2.3 19.3 1.0
SG A:CYS560 2.3 26.8 1.0
CE1 A:HIS556 3.0 25.6 1.0
CD2 A:HIS556 3.1 19.4 1.0
CB A:CYS540 3.2 17.3 1.0
CB A:CYS560 3.2 23.4 1.0
CB A:CYS543 3.3 21.7 1.0
N A:CYS543 3.8 18.1 1.0
CA A:CYS543 4.1 19.8 1.0
ND1 A:HIS556 4.2 22.4 1.0
CG A:HIS556 4.2 20.9 1.0
O2 A:GOL808 4.3 37.1 1.0
O1 A:GOL808 4.3 41.0 1.0
CA A:CYS560 4.6 25.9 1.0
CA A:CYS540 4.6 17.7 1.0
C A:CYS543 4.8 17.8 1.0
CB A:TYR542 4.9 19.5 1.0
CB A:LYS545 4.9 19.5 1.0
C A:TYR542 4.9 20.6 1.0
N A:LEU544 4.9 16.8 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 11:31:43 2020

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