Zinc in PDB 3kr7: Human Tankyrase 2 - Catalytic Parp Domain

All present enzymatic activity of Human Tankyrase 2 - Catalytic Parp Domain:
2.4.2.30;

The structure of Human Tankyrase 2 - Catalytic Parp Domain, PDB code: 3kr7 was solved by T.Karlberg, P.Schutz, C.H.Arrowsmith, H.Berglund, C.Bountra, R.Collins, A.M.Edwards, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, A.Johansson, I.Johansson, A.Kallas, T.Kotenyova, A.Kotzsch, P.Kraulis, T.K.Nielsen, M.Moche, P.Nordlund, T.Nyman, C.Persson, M.I.Siponen, A.G.Thorsell, L.Tresaugues, S.Van Den Berg, J.Weigelt, M.Welin, M.Wisniewska, H.Schuler, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.24 / 1.95
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.847, 66.847, 118.047, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21.9

The binding sites of Zinc atom in the Human Tankyrase 2 - Catalytic Parp Domain (pdb code 3kr7). 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 Human Tankyrase 2 - Catalytic Parp Domain, PDB code: 3kr7:

Zinc binding site 1 out of 1 in the Human Tankyrase 2 - Catalytic Parp Domain


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Tankyrase 2 - Catalytic Parp Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1 b:24.7 occ:1.00 ND1 A:HIS1084 2.2 26.9 1.0 SG A:CYS1089 2.3 22.5 1.0 SG A:CYS1081 2.3 22.8 1.0 SG A:CYS1092 2.3 25.8 1.0 CE1 A:HIS1084 3.0 26.6 1.0 CB A:CYS1081 3.2 22.0 1.0 CG A:HIS1084 3.2 27.0 1.0 CB A:CYS1092 3.3 23.8 1.0 CB A:CYS1089 3.3 20.8 1.0 CB A:HIS1084 3.6 27.2 1.0 N A:HIS1084 3.9 27.6 1.0 N A:CYS1092 4.0 22.6 1.0 O A:HOH87 4.2 28.7 1.0 NE2 A:HIS1084 4.2 26.6 1.0 CA A:CYS1092 4.2 23.4 1.0 O A:HOH95 4.2 33.6 1.0 CD2 A:HIS1084 4.3 28.5 1.0 CA A:HIS1084 4.3 27.3 1.0 CB A:VAL1083 4.4 28.8 1.0 CA A:CYS1089 4.7 20.7 1.0 CA A:CYS1081 4.7 22.5 1.0 CB A:ILE1091 4.8 23.1 1.0 C A:VAL1083 4.8 29.1 1.0 N A:VAL1083 4.9 28.4 1.0 CA A:VAL1083 4.9 28.5 1.0 CG1 A:VAL1083 4.9 27.9 1.0 O A:HOH48 5.0 24.7 1.0

T.Karlberg, N.Markova, I.Johansson, M.Hammarstrom, P.Schutz, J.Weigelt, H.Schuler. Structural Basis For the Interaction Between Tankyrase-2 and A Potent Wnt-Signaling Inhibitor. J.Med.Chem. V. 53 5352 2010.
ISSN: ISSN 0022-2623
PubMed: 20565110
DOI: 10.1021/JM100249W