Chlorine in PDB 2pyw: Structure of A. Thaliana 5-Methylthioribose Kinase in Complex with Adp and Mtr

All present enzymatic activity of Structure of A. Thaliana 5-Methylthioribose Kinase in Complex with Adp and Mtr:
2.7.1.100;

The structure of Structure of A. Thaliana 5-Methylthioribose Kinase in Complex with Adp and Mtr, PDB code: 2pyw was solved by S.Y.Ku, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.58 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	162.460, 82.240, 91.080, 90.00, 117.83, 90.00
R / Rfree (%)	16.3 / 19.7

The structure of Structure of A. Thaliana 5-Methylthioribose Kinase in Complex with Adp and Mtr also contains other interesting chemical elements:

Magnesium

(Mg)

5 atoms

The binding sites of Chlorine atom in the Structure of A. Thaliana 5-Methylthioribose Kinase in Complex with Adp and Mtr (pdb code 2pyw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of A. Thaliana 5-Methylthioribose Kinase in Complex with Adp and Mtr, PDB code: 2pyw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of A. Thaliana 5-Methylthioribose Kinase in Complex with Adp and Mtr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A. Thaliana 5-Methylthioribose Kinase in Complex with Adp and Mtr within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl888 b:20.0 occ:1.00 NZ A:LYS362 2.3 23.6 1.0 NE A:ARG366 3.0 11.0 1.0 ND2 A:ASN274 3.0 7.4 1.0 NH2 A:ARG366 3.1 11.7 1.0 CZ A:ARG366 3.4 11.6 1.0 CE A:LYS362 3.5 21.0 1.0 CB A:HIS240 3.7 8.9 1.0 CD A:LYS362 3.8 21.6 1.0 CB A:LYS362 3.9 9.7 1.0 CG A:ASN274 4.0 9.3 1.0 NH2 A:ARG365 4.0 10.2 1.0 CD A:ARG366 4.1 9.1 1.0 OD1 A:ASN274 4.1 10.7 1.0 CG A:ARG366 4.2 9.2 1.0 CG A:HIS240 4.2 7.5 1.0 NE A:ARG365 4.2 9.8 1.0 CG A:LYS362 4.3 13.2 1.0 CD2 A:HIS240 4.3 9.5 1.0 CZ A:ARG365 4.6 9.6 1.0 O A:LYS362 4.7 9.2 1.0 NH1 A:ARG366 4.7 9.7 1.0 CA A:LYS362 4.8 9.7 1.0 CA A:HIS240 4.8 8.1 1.0 C A:LYS362 4.9 8.3 1.0 O A:ALA270 5.0 7.3 1.0

Chlorine binding site 2 out of 2 in the Structure of A. Thaliana 5-Methylthioribose Kinase in Complex with Adp and Mtr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A. Thaliana 5-Methylthioribose Kinase in Complex with Adp and Mtr within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl888 b:21.0 occ:1.00 NE B:ARG366 3.0 15.5 1.0 NH2 B:ARG366 3.1 16.7 1.0 ND2 B:ASN274 3.2 11.0 1.0 O B:HOH1284 3.2 30.3 1.0 CZ B:ARG366 3.5 16.5 1.0 CB B:HIS240 3.8 11.8 1.0 NZ B:LYS362 3.8 25.1 1.0 CB B:LYS362 3.9 11.3 1.0 NH1 B:ARG365 4.0 16.5 1.0 CE B:LYS362 4.0 22.5 1.0 CG B:ASN274 4.1 13.7 1.0 CD B:LYS362 4.1 18.6 1.0 CD B:ARG366 4.2 11.2 1.0 OD1 B:ASN274 4.2 13.6 1.0 CD2 B:HIS240 4.2 14.1 1.0 CG B:ARG366 4.2 13.8 1.0 CG B:HIS240 4.2 13.1 1.0 NE B:ARG365 4.3 14.0 1.0 CG B:LYS362 4.4 16.0 1.0 CZ B:ARG365 4.6 14.3 1.0 NH1 B:ARG366 4.8 17.3 1.0 O B:LYS362 4.8 10.6 1.0 CA B:LYS362 4.8 11.0 1.0 CA B:HIS240 4.9 12.3 1.0

S.Y.Ku, K.A.Cornell, P.L.Howell. Structure of A. Thaliana 5-Methylthioribose Kinase in Complex with Adp and Mtr Reveals A More Occluded Active Site Than Its Bacterial Homolog Bmc Struct.Biol. V. 7 70 2007.
ISSN: ESSN 1472-6807
PubMed: 17961230
DOI: 10.1186/1472-6807-7-70