Zinc in PDB 4hmh: Crystal Structure of Tankyrase 2 in Complex with 7,3-Dihydroxyflavone

All present enzymatic activity of Crystal Structure of Tankyrase 2 in Complex with 7,3-Dihydroxyflavone:
2.4.2.30;

The structure of Crystal Structure of Tankyrase 2 in Complex with 7,3-Dihydroxyflavone, PDB code: 4hmh was solved by M.Narwal, T.Haikarainen, L.Lehtio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.33 / 2.30
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.294, 67.294, 117.005, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 26.2

The binding sites of Zinc atom in the Crystal Structure of Tankyrase 2 in Complex with 7,3-Dihydroxyflavone (pdb code 4hmh). 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 Crystal Structure of Tankyrase 2 in Complex with 7,3-Dihydroxyflavone, PDB code: 4hmh:

Zinc binding site 1 out of 1 in the Crystal Structure of Tankyrase 2 in Complex with 7,3-Dihydroxyflavone


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Tankyrase 2 in Complex with 7,3-Dihydroxyflavone within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1201 b:19.1 occ:1.00 ND1 A:HIS1084 2.0 21.5 1.0 SG A:CYS1092 2.2 15.1 1.0 SG A:CYS1081 2.3 15.2 1.0 SG A:CYS1089 2.4 14.0 1.0 CE1 A:HIS1084 2.9 22.2 1.0 CG A:HIS1084 3.1 22.2 1.0 CB A:CYS1081 3.3 15.9 1.0 CB A:CYS1089 3.3 12.9 1.0 CB A:CYS1092 3.4 13.9 1.0 CB A:HIS1084 3.6 21.7 1.0 N A:HIS1084 3.9 22.1 1.0 NE2 A:HIS1084 4.1 22.0 1.0 N A:CYS1092 4.1 13.6 1.0 CD2 A:HIS1084 4.2 22.1 1.0 CA A:HIS1084 4.3 21.5 1.0 CA A:CYS1092 4.3 13.6 1.0 CB A:VAL1083 4.4 21.5 1.0 CA A:CYS1081 4.6 16.6 1.0 C A:VAL1083 4.7 21.6 1.0 CA A:CYS1089 4.7 12.8 1.0 N A:VAL1083 4.8 20.7 1.0 CA A:VAL1083 4.9 21.2 1.0 CB A:ILE1091 4.9 13.2 1.0 C A:CYS1081 5.0 17.5 1.0

M.Narwal, T.Haikarainen, A.Fallarero, P.M.Vuorela, L.Lehtio. Screening and Structural Analysis of Flavones Inhibiting Tankyrases. J.Med.Chem. V. 56 3507 2013.
ISSN: ISSN 0022-2623
PubMed: 23574272
DOI: 10.1021/JM3018783