Atomistry » Chlorine » PDB 4ixr-4j7d » 4j1z
Atomistry »
  Chlorine »
    PDB 4ixr-4j7d »
      4j1z »

Chlorine in PDB 4j1z: Tankyrase 2 in Complex with 4-Chloro-1,2-Dihydrophatalzin-One

Enzymatic activity of Tankyrase 2 in Complex with 4-Chloro-1,2-Dihydrophatalzin-One

All present enzymatic activity of Tankyrase 2 in Complex with 4-Chloro-1,2-Dihydrophatalzin-One:
2.4.2.30;

Protein crystallography data

The structure of Tankyrase 2 in Complex with 4-Chloro-1,2-Dihydrophatalzin-One, PDB code: 4j1z was solved by A.E.Jansson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 60.00 / 2.00
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 95.108, 95.031, 115.521, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 24

Other elements in 4j1z:

The structure of Tankyrase 2 in Complex with 4-Chloro-1,2-Dihydrophatalzin-One also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Tankyrase 2 in Complex with 4-Chloro-1,2-Dihydrophatalzin-One (pdb code 4j1z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Tankyrase 2 in Complex with 4-Chloro-1,2-Dihydrophatalzin-One, PDB code: 4j1z:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4j1z

Go back to Chlorine Binding Sites List in 4j1z
Chlorine binding site 1 out of 2 in the Tankyrase 2 in Complex with 4-Chloro-1,2-Dihydrophatalzin-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 4-Chloro-1,2-Dihydrophatalzin-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1204

b:30.3
occ:1.00
CL A:4951204 0.0 30.3 1.0
C8 A:4951204 1.8 23.8 1.0
N2 A:4951204 2.6 21.0 1.0
C5 A:4951204 2.9 23.7 1.0
C4 A:4951204 3.2 23.4 1.0
CD2 A:TYR1050 3.2 31.6 1.0
CG A:TYR1050 3.3 32.8 1.0
CB A:TYR1050 3.4 34.0 1.0
CE2 A:TYR1071 3.5 21.8 1.0
CD2 A:TYR1071 3.5 21.2 1.0
O A:HOH1310 3.7 18.9 1.0
O A:HOH1350 3.9 34.3 1.0
CE2 A:TYR1050 4.0 31.4 1.0
N1 A:4951204 4.0 21.1 1.0
CD1 A:ILE1075 4.0 33.1 1.0
CD1 A:TYR1050 4.1 33.0 1.0
CB A:TYR1060 4.2 14.6 1.0
C6 A:4951204 4.2 18.2 1.0
CZ A:TYR1071 4.3 22.9 1.0
CG A:TYR1071 4.3 20.2 1.0
CG A:TYR1060 4.5 16.7 1.0
C3 A:4951204 4.6 23.1 1.0
C7 A:4951204 4.6 17.3 1.0
CZ A:TYR1050 4.6 33.7 1.0
CE1 A:TYR1050 4.7 34.2 1.0
CA A:TYR1050 4.7 34.3 1.0
CD1 A:TYR1060 4.8 14.6 1.0
OH A:TYR1071 4.8 25.3 1.0
CE1 A:TYR1071 4.9 19.5 1.0
CD1 A:TYR1071 5.0 21.1 1.0

Chlorine binding site 2 out of 2 in 4j1z

Go back to Chlorine Binding Sites List in 4j1z
Chlorine binding site 2 out of 2 in the Tankyrase 2 in Complex with 4-Chloro-1,2-Dihydrophatalzin-One


Mono view


Stereo pair view

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

b:30.7
occ:1.00
CL B:4951204 0.0 30.7 1.0
C8 B:4951204 1.8 24.1 1.0
N2 B:4951204 2.6 19.5 1.0
C5 B:4951204 2.9 22.6 1.0
C4 B:4951204 3.2 21.4 1.0
CD2 B:TYR1050 3.2 31.6 1.0
CG B:TYR1050 3.4 33.1 1.0
CE1 B:TYR1071 3.5 22.5 1.0
CB B:TYR1050 3.5 34.2 1.0
CD1 B:TYR1071 3.5 20.8 1.0
O B:HOH1313 3.8 17.0 1.0
O B:HOH1350 3.9 30.6 1.0
CE2 B:TYR1050 3.9 32.0 1.0
N1 B:4951204 4.0 21.2 1.0
CD1 B:ILE1075 4.1 28.0 1.0
CD1 B:TYR1050 4.1 33.6 1.0
C6 B:4951204 4.2 17.3 1.0
CZ B:TYR1071 4.2 23.7 1.0
CB B:TYR1060 4.2 14.7 1.0
CG B:TYR1071 4.3 19.5 1.0
CG B:TYR1060 4.5 17.1 1.0
C3 B:4951204 4.6 21.7 1.0
C7 B:4951204 4.6 18.2 1.0
CZ B:TYR1050 4.6 31.9 1.0
CE1 B:TYR1050 4.7 33.3 1.0
CD1 B:TYR1060 4.7 15.6 1.0
OH B:TYR1071 4.8 26.7 1.0
CA B:TYR1050 4.8 33.7 1.0
O B:HOH1375 4.8 54.7 1.0
CE2 B:TYR1071 4.9 16.7 1.0
CD2 B:TYR1071 4.9 18.3 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: Sat Dec 12 10:47:23 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy