Chlorine in PDB 6v8b: Crystal Structure of the P300 Acetyltransferase Domain with Accoa Competitive Inhibitor 1

All present enzymatic activity of Crystal Structure of the P300 Acetyltransferase Domain with Accoa Competitive Inhibitor 1:
2.3.1.48;

The structure of Crystal Structure of the P300 Acetyltransferase Domain with Accoa Competitive Inhibitor 1, PDB code: 6v8b was solved by A.S.Gardberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.56 / 3.13
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	45.782, 105.010, 168.930, 90.00, 90.00, 90.00
R / Rfree (%)	25.8 / 31.6

The binding sites of Chlorine atom in the Crystal Structure of the P300 Acetyltransferase Domain with Accoa Competitive Inhibitor 1 (pdb code 6v8b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the P300 Acetyltransferase Domain with Accoa Competitive Inhibitor 1, PDB code: 6v8b:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the P300 Acetyltransferase Domain with Accoa Competitive Inhibitor 1


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 the P300 Acetyltransferase Domain with Accoa Competitive Inhibitor 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1702 b:30.8 occ:1.00 N A:LEU1398 3.5 34.2 1.0 CB A:LEU1398 3.6 33.1 1.0 C19 A:QRY1701 3.8 31.2 1.0 CA A:TYR1397 4.1 35.1 1.0 C A:TYR1397 4.1 34.8 1.0 O A:LEU1398 4.1 33.4 1.0 CA A:LEU1398 4.1 33.6 1.0 CE2 A:TYR1446 4.3 51.4 1.0 OH A:TYR1467 4.3 29.7 1.0 CZ A:TYR1446 4.4 49.8 1.0 O A:CYS1438 4.4 36.7 1.0 C20 A:QRY1701 4.5 31.5 1.0 OH A:TYR1446 4.5 48.2 1.0 O A:TRP1436 4.6 29.2 1.0 C A:LEU1398 4.6 33.5 1.0 O A:SER1396 4.7 30.3 1.0 CD2 A:TYR1446 4.8 52.1 1.0 C18 A:QRY1701 4.8 31.1 1.0 N A:TYR1397 4.9 33.7 1.0 CG A:LEU1398 4.9 33.1 1.0 CE1 A:TYR1446 5.0 49.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the P300 Acetyltransferase Domain with Accoa Competitive Inhibitor 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the P300 Acetyltransferase Domain with Accoa Competitive Inhibitor 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1703 b:43.0 occ:1.00 CA A:GLY1626 3.4 66.8 1.0 OG1 A:THR1357 3.5 33.5 1.0 N A:GLY1626 3.5 65.2 1.0 CE A:LYS1331 4.0 40.4 1.0 ND1 A:HIS1377 4.2 33.2 1.0 CB A:THR1357 4.4 31.9 1.0 CG2 A:THR1357 4.6 32.4 1.0 C A:ASP1625 4.7 63.2 1.0 NZ A:LYS1331 4.7 40.7 1.0 OD1 A:ASP1625 4.8 61.1 1.0 C A:GLY1626 4.8 67.8 1.0 CE1 A:HIS1377 4.8 33.9 1.0

J.E.Wilson, A.Huhn, A.S.Gardberg, F.Poy, F.Brucelle, V.Vivat, G.Patel, C.Patel, R.Cummings, R.Sims, J.Levell, J.E.Audia, A.Bommi-Reddy, N.Cantone. Early Drug Discovery Efforts Towards the Identification of EP300/Cbp Histone Acetyltransferase (Hat) Inhibitors. Chemmedchem 2020.
ISSN: ESSN 1860-7187
PubMed: 32181984
DOI: 10.1002/CMDC.202000007