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Zinc 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:

Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total only one binding site of Zinc was determined in the Tankyrase 2 in Complex with 7-(4-Amino-2-Chlorophenyl)-4- Methylquinolin-2(1H)-One, PDB code: 4j21:

Zinc binding site 1 out of 1 in 4j21

Go back to Zinc Binding Sites List in 4j21
Zinc 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 Zinc with other atoms in the Zn 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:Zn1201

b:25.2
occ:1.00
 ND1 A:HIS1084 2.1 32.6 1.0
SG A:CYS1081 2.3 24.2 1.0
SG A:CYS1089 2.3 22.8 1.0
SG A:CYS1092 2.3 26.1 1.0
CE1 A:HIS1084 3.1 34.2 1.0
CG A:HIS1084 3.1 32.6 1.0
CB A:CYS1081 3.2 23.6 1.0
CB A:CYS1089 3.3 19.4 1.0
CB A:CYS1092 3.3 24.0 1.0
CB A:HIS1084 3.5 30.2 1.0
N A:HIS1084 3.9 29.4 1.0
N A:CYS1092 4.0 21.9 1.0
NE2 A:HIS1084 4.2 35.4 1.0
CD2 A:HIS1084 4.3 34.4 1.0
O A:HOH1308 4.3 32.3 1.0
CA A:CYS1092 4.3 22.7 1.0
CA A:HIS1084 4.3 30.1 1.0
O A:HOH1320 4.4 34.1 1.0
CB A:VAL1083 4.4 28.6 1.0
CA A:CYS1081 4.7 24.8 1.0
CA A:CYS1089 4.7 20.0 1.0
C A:VAL1083 4.8 29.9 1.0
N A:VAL1083 4.8 28.2 1.0
CB A:ILE1091 4.9 23.5 1.0
CA A:VAL1083 4.9 28.1 1.0
O A:HOH1327 5.0 24.3 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: Sun Oct 27 01:00:40 2024

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