Chlorine in PDB 7szq: Human P300 Complexed with An Azaindazole Inhibitor

All present enzymatic activity of Human P300 Complexed with An Azaindazole Inhibitor:
2.3.1.48;

The structure of Human P300 Complexed with An Azaindazole Inhibitor, PDB code: 7szq was solved by L.M.Shewchuk, R.A.Reid, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.15 / 2.80
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	62.444, 62.444, 103.658, 90, 90, 90
R / Rfree (%)	16.9 / 23.5

The binding sites of Chlorine atom in the Human P300 Complexed with An Azaindazole Inhibitor (pdb code 7szq). 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 Human P300 Complexed with An Azaindazole Inhibitor, PDB code: 7szq:

Chlorine binding site 1 out of 1 in the Human P300 Complexed with An Azaindazole Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human P300 Complexed with An Azaindazole Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1701 b:50.3 occ:1.00 CL01 A:ETL1701 0.0 50.3 1.0 C02 A:ETL1701 1.7 35.6 1.0 C07 A:ETL1701 2.7 28.8 1.0 C03 A:ETL1701 2.7 28.1 1.0 CB A:PRO1458 3.5 26.8 1.0 CG A:PRO1458 3.9 19.8 1.0 CG A:ARG1462 4.0 38.0 1.0 C06 A:ETL1701 4.0 27.6 1.0 C04 A:ETL1701 4.0 25.4 1.0 CD1 A:TRP1466 4.1 28.1 1.0 CG A:TRP1466 4.3 25.6 1.0 CB A:TRP1466 4.4 20.6 1.0 C05 A:ETL1701 4.5 25.7 1.0 O A:HOH1857 4.6 14.4 1.0 O A:ARG1462 4.6 29.8 1.0 CD A:ARG1462 4.7 44.2 1.0 NE1 A:TRP1466 4.7 33.7 1.0 CD A:PRO1458 4.8 33.6 1.0 CA A:PRO1458 4.8 32.4 1.0 C A:ARG1462 4.8 30.2 1.0 CA A:LEU1463 4.9 24.2 1.0 CB A:ARG1462 5.0 30.3 1.0 N A:LEU1463 5.0 29.8 1.0 CD2 A:TRP1466 5.0 31.3 1.0

X.Tian, D.Suarez, D.Thomson, W.Li, E.A.King, L.Lafrance, J.Boehm, L.Barton, C.Di Marco, C.Martyr, R.Thalji, J.Medina, S.Knight, D.Heerding, E.Gao, E.Nartey, T.Cecconie, C.Nixon, G.Zhang, T.J.Berrodin, C.Phelps, A.Patel, X.Bai, K.Lind, N.Prabhu, J.Messer, Z.Zhu, L.Shewchuk, R.Reid, A.P.Graves, C.Mchugh, B.Mangatt. Discovery of Proline-Based P300/Cbp Inhibitors Using Dna-Encoded Library Technology in Combination with High-Throughput Screening. J.Med.Chem. V. 65 14391 2022.
ISSN: ISSN 0022-2623
PubMed: 36302181
DOI: 10.1021/ACS.JMEDCHEM.2C00670