Zinc in PDB 4hkn: Complex Structure of Human Tankyrase 2 with Luteolin

All present enzymatic activity of Complex Structure of Human Tankyrase 2 with Luteolin:
2.4.2.30;

The structure of Complex Structure of Human Tankyrase 2 with Luteolin, PDB code: 4hkn 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)	44.13 / 2.05
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.280, 67.280, 118.060, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 23.2

The binding sites of Zinc atom in the Complex Structure of Human Tankyrase 2 with Luteolin (pdb code 4hkn). 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 Luteolin, PDB code: 4hkn:

Zinc binding site 1 out of 1 in the Complex Structure of Human Tankyrase 2 with Luteolin


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 Luteolin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1201 b:29.0 occ:1.00 ND1 A:HIS1084 2.1 35.0 1.0 SG A:CYS1089 2.1 23.9 1.0 SG A:CYS1081 2.4 30.1 1.0 SG A:CYS1092 2.4 33.5 1.0 CE1 A:HIS1084 2.9 34.3 1.0 CG A:HIS1084 3.2 35.2 1.0 CB A:CYS1089 3.2 23.3 1.0 CB A:CYS1081 3.2 25.7 1.0 CB A:CYS1092 3.4 31.4 1.0 CB A:HIS1084 3.6 33.6 1.0 N A:HIS1084 3.9 36.2 1.0 N A:CYS1092 4.0 28.6 1.0 NE2 A:HIS1084 4.1 33.6 1.0 CA A:CYS1092 4.2 29.6 1.0 CD2 A:HIS1084 4.3 35.6 1.0 CA A:HIS1084 4.4 35.5 1.0 CB A:VAL1083 4.4 35.1 1.0 CA A:CYS1089 4.6 25.3 1.0 CA A:CYS1081 4.7 28.9 1.0 CB A:ILE1091 4.8 30.3 1.0 C A:VAL1083 4.8 37.9 1.0 N A:VAL1083 4.8 35.5 1.0 CG1 A:VAL1083 4.9 36.5 1.0 CA A:VAL1083 4.9 36.4 1.0 O A:HOH1306 4.9 31.3 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