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Zinc in PDB 5zqp: Tankyrase-2 in Complex with Compound 12

Enzymatic activity of Tankyrase-2 in Complex with Compound 12

All present enzymatic activity of Tankyrase-2 in Complex with Compound 12:
2.4.2.30;

Protein crystallography data

The structure of Tankyrase-2 in Complex with Compound 12, PDB code: 5zqp was solved by H.Niwa, F.Shirai, S.Sato, N.Yoshimoto, T.Tsumura, M.Okue, M.Shirouzu, H.Seimiya, T.Umehara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.70 / 1.99
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 67.405, 67.405, 115.092, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 20.5

Zinc Binding Sites:

The binding sites of Zinc atom in the Tankyrase-2 in Complex with Compound 12 (pdb code 5zqp). 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 Compound 12, PDB code: 5zqp:

Zinc binding site 1 out of 1 in 5zqp

Go back to Zinc Binding Sites List in 5zqp
Zinc binding site 1 out of 1 in the Tankyrase-2 in Complex with Compound 12


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 Compound 12 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1201

b:27.8
occ:1.00
ND1 A:HIS1084 2.2 35.9 1.0
SG A:CYS1089 2.3 26.6 1.0
SG A:CYS1081 2.3 26.8 1.0
SG A:CYS1092 2.3 28.1 1.0
CE1 A:HIS1084 3.1 30.8 1.0
CG A:HIS1084 3.2 33.8 1.0
CB A:CYS1081 3.2 25.6 1.0
CB A:CYS1089 3.2 19.7 1.0
CB A:CYS1092 3.4 24.5 1.0
CB A:HIS1084 3.5 29.4 1.0
N A:HIS1084 3.9 32.9 1.0
N A:CYS1092 4.0 23.1 1.0
NE2 A:HIS1084 4.2 35.9 1.0
CA A:CYS1092 4.3 24.5 1.0
CA A:HIS1084 4.3 31.8 1.0
CD2 A:HIS1084 4.3 34.5 1.0
CB A:VAL1083 4.4 29.3 1.0
O A:HOH1377 4.4 35.5 1.0
CA A:CYS1089 4.6 24.0 1.0
CA A:CYS1081 4.6 29.3 1.0
C A:VAL1083 4.8 29.6 1.0
CB A:ILE1091 4.8 27.1 1.0
N A:VAL1083 4.8 31.3 1.0
CA A:VAL1083 4.9 30.6 1.0
CG1 A:VAL1083 4.9 28.4 1.0

Reference:

F.Shirai, T.Tsumura, Y.Yashiroda, H.Yuki, H.Niwa, S.Sato, T.Chikada, Y.Koda, K.Washizuka, N.Yoshimoto, M.Abe, T.Onuki, Y.Mazaki, C.Hirama, T.Fukami, H.Watanabe, T.Honma, T.Umehara, M.Shirouzu, M.Okue, Y.Kano, T.Watanabe, K.Kitamura, E.Shitara, Y.Muramatsu, H.Yoshida, A.Mizutani, H.Seimiya, M.Yoshida, H.Koyama. Discovery of Novel Spiroindoline Derivatives As Selective Tankyrase Inhibitors. J. Med. Chem. V. 62 3407 2019.
ISSN: ISSN 1520-4804
PubMed: 30883102
DOI: 10.1021/ACS.JMEDCHEM.8B01888
Page generated: Wed Dec 16 11:27:42 2020

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