Zinc in PDB 2orw: Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A

All present enzymatic activity of Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A:
2.7.1.21;

The structure of Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A, PDB code: 2orw was solved by D.Segura-Pena, S.Lutz, C.Monnerjahn, M.Konrad, A.Lavie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.00 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	102.550, 59.630, 61.440, 90.00, 103.11, 90.00
R / Rfree (%)	16.9 / 20.8

The structure of Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Zinc atom in the Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A (pdb code 2orw). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A, PDB code: 2orw:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:19.7 occ:1.00 SG A:CYS140 2.3 17.2 1.0 SG A:CYS176 2.4 21.8 1.0 SG A:CYS143 2.4 20.9 1.0 SG A:CYS173 2.4 17.9 1.0 CB A:CYS140 3.1 13.0 1.0 CB A:CYS176 3.3 18.3 1.0 CB A:CYS143 3.3 20.9 1.0 CB A:CYS173 3.5 14.7 1.0 N A:CYS143 3.7 21.2 1.0 N A:CYS173 3.9 13.1 1.0 CA A:CYS143 4.1 21.2 1.0 OD1 A:ASN147 4.1 17.9 1.0 CA A:CYS173 4.3 14.1 1.0 CA A:CYS176 4.4 18.5 1.0 N A:CYS176 4.4 17.8 1.0 ND2 A:ASN147 4.5 25.9 1.0 O A:HOH619 4.6 30.4 1.0 CA A:CYS140 4.6 14.4 1.0 CB A:ARG142 4.7 19.9 1.0 CG A:ASN147 4.8 16.6 1.0 C A:ARG142 4.8 21.7 1.0 C A:CYS143 4.9 20.6 1.0 C A:CYS173 5.0 13.9 1.0 N A:ARG142 5.0 18.8 1.0

Zinc binding site 2 out of 2 in the Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:20.2 occ:1.00 SG B:CYS143 2.3 21.3 1.0 SG B:CYS176 2.4 22.7 1.0 SG B:CYS173 2.4 18.0 1.0 SG B:CYS140 2.4 16.5 1.0 CB B:CYS176 3.2 18.8 1.0 CB B:CYS140 3.2 16.2 1.0 CB B:CYS143 3.3 22.0 1.0 CB B:CYS173 3.6 13.8 1.0 N B:CYS143 3.7 21.8 1.0 N B:CYS173 4.0 13.9 1.0 CA B:CYS143 4.1 22.0 1.0 OD1 B:ASN147 4.2 22.7 1.0 CA B:CYS173 4.3 14.8 1.0 CA B:CYS176 4.4 18.6 1.0 N B:CYS176 4.4 18.4 1.0 CB B:ARG142 4.7 21.4 1.0 CA B:CYS140 4.7 13.8 1.0 C B:ARG142 4.8 22.1 1.0 ND2 B:ASN147 4.8 26.1 1.0 CG B:ASN147 4.9 18.6 1.0 C B:CYS143 4.9 21.9 1.0 C B:CYS173 5.0 14.3 1.0 O B:CYS173 5.0 15.8 1.0

D.Segura-Pena, S.Lutz, C.Monnerjahn, M.Konrad, A.Lavie. Binding of Atp to TK1-Like Enzymes Is Associated with A Conformational Change in the Quaternary Structure. J.Mol.Biol. V. 369 129 2007.
ISSN: ISSN 0022-2836
PubMed: 17407781
DOI: 10.1016/J.JMB.2007.02.104