Zinc in PDB 4hl5: Complex Structure of Human Tankyrase 2 with 7-Hydroxy -4'- Methoxyflavone

All present enzymatic activity of Complex Structure of Human Tankyrase 2 with 7-Hydroxy -4'- Methoxyflavone:
2.4.2.30;

The structure of Complex Structure of Human Tankyrase 2 with 7-Hydroxy -4'- Methoxyflavone, PDB code: 4hl5 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)	47.45 / 2.20
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.100, 67.100, 117.200, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 24.2

The binding sites of Zinc atom in the Complex Structure of Human Tankyrase 2 with 7-Hydroxy -4'- Methoxyflavone (pdb code 4hl5). 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 Complex Structure of Human Tankyrase 2 with 7-Hydroxy -4'- Methoxyflavone, PDB code: 4hl5:

Zinc binding site 1 out of 1 in the Complex Structure of Human Tankyrase 2 with 7-Hydroxy -4'- Methoxyflavone


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Complex Structure of Human Tankyrase 2 with 7-Hydroxy -4'- Methoxyflavone within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1202 b:23.2 occ:1.00 ND1 A:HIS1084 2.1 27.9 1.0 SG A:CYS1081 2.3 20.6 1.0 SG A:CYS1089 2.3 20.6 1.0 SG A:CYS1092 2.4 22.8 1.0 CE1 A:HIS1084 2.9 26.9 1.0 CG A:HIS1084 3.1 29.0 1.0 CB A:CYS1092 3.2 22.8 1.0 CB A:CYS1081 3.2 23.3 1.0 CB A:CYS1089 3.3 21.7 1.0 CB A:HIS1084 3.5 28.6 1.0 N A:HIS1084 3.9 27.8 1.0 N A:CYS1092 4.0 24.8 1.0 NE2 A:HIS1084 4.1 29.6 1.0 CD2 A:HIS1084 4.2 28.9 1.0 CA A:CYS1092 4.2 22.5 1.0 CA A:HIS1084 4.4 28.7 1.0 CB A:VAL1083 4.4 28.7 1.0 CA A:CYS1089 4.7 22.2 1.0 CA A:CYS1081 4.7 24.1 1.0 C A:VAL1083 4.8 30.6 1.0 CB A:ILE1091 4.8 25.8 1.0 N A:VAL1083 4.9 30.3 1.0 CA A:VAL1083 4.9 29.3 1.0 CG1 A:VAL1083 5.0 28.6 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