Chlorine 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
Zinc (Zn) 1 atom
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Myst Acetyltransferase Domain in Complex with Inhibitor, PDB code: 6ba2:

Chlorine binding site 1 out of 1 in 6ba2

Go back to Chlorine Binding Sites List in 6ba2
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl801

b:21.6
occ:1.00
 O A:HOH942 3.1 20.3 1.0
O A:HOH922 3.1 19.8 1.0
N A:ASP520 3.2 18.6 1.0
CA A:ILE519 3.8 19.2 1.0
OD2 A:ASP520 4.0 22.1 1.0
C A:ILE519 4.0 19.9 1.0
CB A:ASP520 4.1 17.1 1.0
CG A:ASP520 4.1 22.0 1.0
O A:GLU518 4.2 23.1 1.0
CG2 A:ILE519 4.2 17.7 1.0
CA A:ASP520 4.2 15.5 1.0
O A:HOH923 4.4 35.7 1.0
CB A:ILE519 4.6 16.9 1.0
O A:ASP520 4.6 16.8 1.0
O A:HOH1014 4.7 39.2 1.0
OD1 A:ASP520 4.8 23.6 1.0
N A:ILE519 4.8 16.9 1.0
C A:GLU518 4.9 23.9 1.0
O A:HOH919 4.9 26.7 1.0
C A:ASP520 5.0 15.3 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: Sat Dec 12 12:45:48 2020

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