Atomistry » Chlorine » PDB 5mge-5mlr » 5ml0
Atomistry »
  Chlorine »
    PDB 5mge-5mlr »
      5ml0 »

Chlorine in PDB 5ml0: Bromodomain of Mouse Pcaf with (R)-4-Chloro-2-Methyl-5-((1- Methylpiperidin-3-Yl)Amino)Pyridazin-3(2H)-One

Enzymatic activity of Bromodomain of Mouse Pcaf with (R)-4-Chloro-2-Methyl-5-((1- Methylpiperidin-3-Yl)Amino)Pyridazin-3(2H)-One

All present enzymatic activity of Bromodomain of Mouse Pcaf with (R)-4-Chloro-2-Methyl-5-((1- Methylpiperidin-3-Yl)Amino)Pyridazin-3(2H)-One:
2.3.1.48;

Protein crystallography data

The structure of Bromodomain of Mouse Pcaf with (R)-4-Chloro-2-Methyl-5-((1- Methylpiperidin-3-Yl)Amino)Pyridazin-3(2H)-One, PDB code: 5ml0 was solved by C.-W.Chung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.39 / 1.64
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 93.481, 93.481, 32.783, 90.00, 90.00, 120.00
R / Rfree (%) 17.9 / 22.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Bromodomain of Mouse Pcaf with (R)-4-Chloro-2-Methyl-5-((1- Methylpiperidin-3-Yl)Amino)Pyridazin-3(2H)-One (pdb code 5ml0). 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 Bromodomain of Mouse Pcaf with (R)-4-Chloro-2-Methyl-5-((1- Methylpiperidin-3-Yl)Amino)Pyridazin-3(2H)-One, PDB code: 5ml0:

Chlorine binding site 1 out of 1 in 5ml0

Go back to Chlorine Binding Sites List in 5ml0
Chlorine binding site 1 out of 1 in the Bromodomain of Mouse Pcaf with (R)-4-Chloro-2-Methyl-5-((1- Methylpiperidin-3-Yl)Amino)Pyridazin-3(2H)-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bromodomain of Mouse Pcaf with (R)-4-Chloro-2-Methyl-5-((1- Methylpiperidin-3-Yl)Amino)Pyridazin-3(2H)-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl901

b:11.9
occ:1.00
 CL1 A:P2L901 0.0 11.9 1.0
C33 A:P2L901 1.7 12.4 1.0
C31 A:P2L901 2.7 13.2 1.0
C22 A:P2L901 2.7 12.5 1.0
O32 A:P2L901 3.0 13.1 1.0
N20 A:P2L901 3.0 11.8 1.0
O A:PRO746 3.4 10.2 1.0
CE1 A:PHE747 3.5 10.9 1.0
CD1 A:PHE747 3.7 10.9 1.0
CB A:PRO746 3.7 10.8 1.0
O A:HOH1041 3.9 11.8 1.0
N26 A:P2L901 3.9 14.1 1.0
C A:PRO746 4.0 10.2 1.0
C23 A:P2L901 4.0 12.7 1.0
SG A:CYS798 4.1 12.2 1.0
O A:HOH1012 4.1 13.2 1.0
CG A:TYR808 4.2 14.5 1.0
CB A:TYR808 4.4 14.4 1.0
CD2 A:TYR808 4.4 14.7 1.0
CA A:PRO746 4.4 10.9 1.0
CZ A:PHE747 4.5 10.7 1.0
O A:HOH1029 4.5 12.8 1.0
N25 A:P2L901 4.5 13.4 1.0
C15 A:P2L901 4.5 11.6 1.0
CD1 A:TYR808 4.5 14.3 1.0
O A:HOH1062 4.6 11.0 1.0
CB A:CYS798 4.7 12.3 1.0
CG2 A:VAL751 4.7 15.7 1.0
CG A:PHE747 4.8 10.8 1.0
N A:PHE747 4.8 10.7 1.0
CE2 A:TYR808 4.9 15.6 1.0
CE1 A:TYR808 5.0 14.6 1.0

Reference:

P.G.Humphreys, P.Bamborough, C.W.Chung, P.D.Craggs, L.Gordon, P.Grandi, T.G.Hayhow, J.Hussain, K.L.Jones, M.Lindon, A.M.Michon, J.F.Renaux, C.J.Suckling, D.F.Tough, R.K.Prinjha. Discovery of A Potent, Cell Penetrant, and Selective P300/Cbp-Associated Factor (Pcaf)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe. J. Med. Chem. V. 60 695 2017.
ISSN: ISSN 1520-4804
PubMed: 28002667
DOI: 10.1021/ACS.JMEDCHEM.6B01566
Page generated: Fri Jul 26 12:46:34 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy