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Zinc in PDB 6kro: Tankyrase-2 in Complex with Rk-582

Enzymatic activity of Tankyrase-2 in Complex with Rk-582

All present enzymatic activity of Tankyrase-2 in Complex with Rk-582:
2.4.2.30;

Protein crystallography data

The structure of Tankyrase-2 in Complex with Rk-582, PDB code: 6kro was solved by H.Niwa, F.Shirai, S.Sato, 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) 46.75 / 1.90
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 66.116, 66.116, 114.758, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 20.3

Other elements in 6kro:

The structure of Tankyrase-2 in Complex with Rk-582 also contains other interesting chemical elements:

Fluorine (F) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Tankyrase-2 in Complex with Rk-582 (pdb code 6kro). 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 Rk-582, PDB code: 6kro:

Zinc binding site 1 out of 1 in 6kro

Go back to Zinc Binding Sites List in 6kro
Zinc binding site 1 out of 1 in the Tankyrase-2 in Complex with Rk-582


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 Rk-582 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1202

b:37.8
occ:1.00
ND1 A:HIS1084 2.2 38.9 1.0
SG A:CYS1092 2.3 41.9 1.0
SG A:CYS1081 2.3 38.5 1.0
SG A:CYS1089 2.4 39.3 1.0
CB A:CYS1081 3.2 34.6 1.0
CG A:HIS1084 3.2 45.5 1.0
CE1 A:HIS1084 3.2 47.0 1.0
CB A:CYS1089 3.3 32.8 1.0
CB A:CYS1092 3.3 34.6 1.0
CB A:HIS1084 3.5 44.4 1.0
N A:HIS1084 3.8 47.1 1.0
N A:CYS1092 4.0 35.4 1.0
CA A:CYS1092 4.2 33.7 1.0
O A:HOH1385 4.2 43.0 1.0
CA A:HIS1084 4.3 45.5 1.0
NE2 A:HIS1084 4.3 48.5 1.0
CD2 A:HIS1084 4.4 44.4 1.0
CB A:VAL1083 4.4 45.9 1.0
CA A:CYS1081 4.6 36.7 1.0
CA A:CYS1089 4.7 35.0 1.0
CB A:ILE1091 4.7 36.3 1.0
C A:VAL1083 4.7 43.2 1.0
N A:VAL1083 4.8 37.5 1.0
CA A:VAL1083 4.9 47.7 1.0
O A:HOH1313 4.9 46.6 1.0
C A:CYS1081 5.0 43.8 1.0

Reference:

F.Shirai, A.Mizutani, Y.Yashiroda, T.Tsumura, Y.Kano, Y.Muramatsu, T.Chikada, H.Yuki, H.Niwa, S.Sato, K.Washizuka, Y.Koda, Y.Mazaki, M.K.Jang, H.Yoshida, A.Nagamori, M.Okue, T.Watanabe, K.Kitamura, E.Shitara, T.Honma, T.Umehara, M.Shirouzu, T.Fukami, H.Seimiya, M.Yoshida, H.Koyama. Design and Discovery of An Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor For the Treatment of Colon Cancer. J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 32202790
DOI: 10.1021/ACS.JMEDCHEM.0C00045
Page generated: Wed Dec 16 12:09:38 2020

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