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Chlorine in PDB 4j21: Tankyrase 2 in Complex with 7-(4-Amino-2-Chlorophenyl)-4- Methylquinolin-2(1H)-One

Enzymatic activity of Tankyrase 2 in Complex with 7-(4-Amino-2-Chlorophenyl)-4- Methylquinolin-2(1H)-One

All present enzymatic activity of Tankyrase 2 in Complex with 7-(4-Amino-2-Chlorophenyl)-4- Methylquinolin-2(1H)-One:
2.4.2.30;

Protein crystallography data

The structure of Tankyrase 2 in Complex with 7-(4-Amino-2-Chlorophenyl)-4- Methylquinolin-2(1H)-One, PDB code: 4j21 was solved by A.E.Jansson, E.A.Larsson, P.L.Nordlund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 116.00 / 1.93
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 67.695, 67.695, 116.515, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 25.2

Other elements in 4j21:

The structure of Tankyrase 2 in Complex with 7-(4-Amino-2-Chlorophenyl)-4- Methylquinolin-2(1H)-One also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Tankyrase 2 in Complex with 7-(4-Amino-2-Chlorophenyl)-4- Methylquinolin-2(1H)-One (pdb code 4j21). 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 Tankyrase 2 in Complex with 7-(4-Amino-2-Chlorophenyl)-4- Methylquinolin-2(1H)-One, PDB code: 4j21:

Chlorine binding site 1 out of 1 in 4j21

Go back to Chlorine Binding Sites List in 4j21
Chlorine binding site 1 out of 1 in the Tankyrase 2 in Complex with 7-(4-Amino-2-Chlorophenyl)-4- Methylquinolin-2(1H)-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tankyrase 2 in Complex with 7-(4-Amino-2-Chlorophenyl)-4- Methylquinolin-2(1H)-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1204

b:21.2
occ:1.00
 CL A:AJ61204 0.0 21.2 1.0
C17 A:AJ61204 1.8 26.6 1.0
C16 A:AJ61204 2.7 28.4 1.0
C11 A:AJ61204 2.8 24.1 1.0
C10 A:AJ61204 3.2 19.7 1.0
C9 A:AJ61204 3.3 20.9 1.0
O A:TYR1071 3.3 16.8 1.0
CD A:PRO1034 3.7 22.5 1.0
CB A:TYR1071 3.7 13.6 1.0
N A:ILE1075 3.8 21.1 1.0
C A:GLY1074 3.8 20.3 1.0
CD2 A:TYR1071 3.9 20.8 1.0
CA A:GLY1074 3.9 20.0 1.0
C14 A:AJ61204 4.0 29.6 1.0
C12 A:AJ61204 4.1 26.3 1.0
C A:TYR1071 4.2 15.5 1.0
CA A:SER1033 4.2 18.5 1.0
O A:GLY1032 4.2 15.1 1.0
CD1 A:ILE1075 4.2 29.4 1.0
CA A:TYR1071 4.3 14.5 1.0
O A:GLY1074 4.3 20.5 1.0
CG A:TYR1071 4.3 17.0 1.0
C19 A:AJ61204 4.3 19.8 1.0
C8 A:AJ61204 4.4 19.6 1.0
N A:GLY1074 4.5 19.9 1.0
CB A:SER1033 4.5 18.6 1.0
CA A:ILE1075 4.6 20.7 1.0
C13 A:AJ61204 4.6 27.3 1.0
CG1 A:ILE1075 4.7 22.4 1.0
O A:HOH1478 4.7 27.7 1.0
CG A:PRO1034 4.7 22.1 1.0
OG A:SER1033 4.7 16.9 1.0
N A:PRO1034 4.7 22.3 1.0
N6 A:AJ61204 5.0 15.9 1.0

Reference:

E.A.Larsson, A.E.Jansson, F.M.Ng, S.W.Then, R.Panicker, B.Liu, K.Sangthongpitag, V.Pendharkar, S.J.Tai, J.Hill, C.Dan, S.Y.Ho, W.W.Cheong, A.Poulsen, S.Blanchard, G.R.Lin, J.Alam, T.H.Keller, P.Nordlund. Fragment-Based Ligand Design of Novel Potent Inhibitors of Tankyrases. J.Med.Chem. V. 56 4497 2013.
ISSN: ISSN 0022-2623
PubMed: 23672613
DOI: 10.1021/JM400211F
Page generated: Sun Jul 21 17:11:52 2024

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