Zinc in PDB 1xx6: X-Ray Structure of Clostridium Acetobutylicum Thymidine Kinase with Adp. Northeast Structural Genomics Target CAR26.

All present enzymatic activity of X-Ray Structure of Clostridium Acetobutylicum Thymidine Kinase with Adp. Northeast Structural Genomics Target CAR26.:
2.7.1.21;

The structure of X-Ray Structure of Clostridium Acetobutylicum Thymidine Kinase with Adp. Northeast Structural Genomics Target CAR26., PDB code: 1xx6 was solved by A.P.Kuzin, M.Abashidze, F.Forouhar, S.M.Vorobiev, T.B.Acton, L.-C.Ma, R.Xiao, G.T.Montelione, L.Tong, J.F.Hunt, Northeast Structural Genomicsconsortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.49 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.793, 67.166, 103.638, 90.00, 90.00, 90.00
R / Rfree (%)	24.1 / 26.6

The binding sites of Zinc atom in the X-Ray Structure of Clostridium Acetobutylicum Thymidine Kinase with Adp. Northeast Structural Genomics Target CAR26. (pdb code 1xx6). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the X-Ray Structure of Clostridium Acetobutylicum Thymidine Kinase with Adp. Northeast Structural Genomics Target CAR26., PDB code: 1xx6:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the X-Ray Structure of Clostridium Acetobutylicum Thymidine Kinase with Adp. Northeast Structural Genomics Target CAR26.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Structure of Clostridium Acetobutylicum Thymidine Kinase with Adp. Northeast Structural Genomics Target CAR26. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:22.9 occ:1.00 SG A:CYS183 2.4 23.2 1.0 SG A:CYS186 2.4 28.3 1.0 SG A:CYS148 2.4 26.7 1.0 SG A:CYS145 2.5 27.2 1.0 CB A:CYS186 3.2 25.1 1.0 CB A:CYS145 3.3 23.3 1.0 CB A:CYS148 3.5 26.2 1.0 CB A:CYS183 3.5 20.8 1.0 N A:CYS148 3.8 26.3 1.0 N A:CYS183 4.0 20.8 1.0 O A:HOH356 4.1 37.7 1.0 N A:CYS186 4.2 22.0 1.0 CA A:CYS148 4.2 26.8 1.0 CA A:CYS183 4.3 21.3 1.0 CA A:CYS186 4.3 22.4 1.0 CB A:VAL147 4.4 27.1 1.0 C A:VAL147 4.8 25.8 1.0 CA A:CYS145 4.8 22.7 1.0 C A:CYS148 4.9 27.3 1.0 C A:CYS183 4.9 21.6 1.0 N A:GLY149 5.0 25.5 1.0 CG1 A:VAL147 5.0 27.4 1.0

Zinc binding site 2 out of 2 in the X-Ray Structure of Clostridium Acetobutylicum Thymidine Kinase with Adp. Northeast Structural Genomics Target CAR26.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Structure of Clostridium Acetobutylicum Thymidine Kinase with Adp. Northeast Structural Genomics Target CAR26. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:22.6 occ:1.00 SG B:CYS186 2.1 41.1 1.0 SG B:CYS145 2.4 22.1 1.0 SG B:CYS148 2.4 23.3 1.0 CB B:CYS183 2.7 25.6 1.0 SG B:CYS183 2.8 38.0 1.0 CB B:CYS145 3.2 21.3 1.0 CB B:CYS186 3.2 30.4 1.0 CB B:CYS148 3.4 25.8 1.0 N B:CYS148 3.7 24.6 1.0 N B:CYS183 3.7 19.9 1.0 CA B:CYS183 3.8 24.4 1.0 O B:HOH463 4.0 44.8 1.0 CA B:CYS148 4.1 24.0 1.0 CB B:VAL147 4.4 25.2 1.0 CA B:CYS186 4.5 25.6 1.0 N B:CYS186 4.6 25.2 1.0 C B:VAL147 4.6 24.1 1.0 CA B:CYS145 4.7 20.3 1.0 N B:GLY149 4.7 22.8 1.0 C B:CYS148 4.7 25.0 1.0 C B:CYS183 4.8 20.8 1.0 N B:ASN150 4.9 22.9 1.0 CA B:VAL147 4.9 24.5 1.0 C B:ARG182 4.9 19.6 1.0 CB B:ASN150 5.0 28.3 1.0

A.P.Kuzin, M.Abashidze, F.Forouhar, S.M.Vorobiev, T.B.Acton, L.-C.Ma, R.Xiao, G.T.Montelione, L.Tong, J.F.Hunt. X-Ray Structure of Clostridium Acetobutylicum Thymidine Kinase with Adp. Northeast Structural Genomics Target CAR26. To Be Published.