Magnesium in PDB 2xwl: Crystal Structure of Ispd From Mycobacterium Smegmatis in Complex with Ctp and Mg

All present enzymatic activity of Crystal Structure of Ispd From Mycobacterium Smegmatis in Complex with Ctp and Mg:
2.7.7.60;

The structure of Crystal Structure of Ispd From Mycobacterium Smegmatis in Complex with Ctp and Mg, PDB code: 2xwl was solved by C.Bjorkelid, T.Bergfors, T.Unge, T.A.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.95 / 1.49
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.330, 72.980, 117.180, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 21

The binding sites of Magnesium atom in the Crystal Structure of Ispd From Mycobacterium Smegmatis in Complex with Ctp and Mg (pdb code 2xwl). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Ispd From Mycobacterium Smegmatis in Complex with Ctp and Mg, PDB code: 2xwl:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Ispd From Mycobacterium Smegmatis in Complex with Ctp and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Ispd From Mycobacterium Smegmatis in Complex with Ctp and Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg300 b:15.2 occ:1.00 O A:HOH2264 2.0 19.1 1.0 O1G A:CTP301 2.1 14.6 1.0 O1A A:CTP301 2.1 15.0 1.0 O1B A:CTP301 2.1 14.1 1.0 O A:HOH2260 2.1 16.5 1.0 O A:HOH2259 2.2 18.5 1.0 PB A:CTP301 3.2 14.3 1.0 PG A:CTP301 3.2 14.7 1.0 PA A:CTP301 3.3 14.0 1.0 O3B A:CTP301 3.4 14.5 1.0 O3A A:CTP301 3.6 12.9 1.0 O5' A:CTP301 3.8 12.7 1.0 NH2 A:ARG15 3.8 17.1 1.0 O2G A:CTP301 3.9 15.4 1.0 O A:HOH2265 3.9 19.1 1.0 O A:HOH2266 4.0 31.0 1.0 O A:HOH2262 4.2 28.4 1.0 O A:HOH2267 4.3 21.2 1.0 O A:HOH2127 4.4 17.6 1.0 O3G A:CTP301 4.5 14.3 1.0 O A:HOH2056 4.5 34.0 1.0 C6 A:CTP301 4.5 13.4 1.0 O2B A:CTP301 4.5 13.1 1.0 O2A A:CTP301 4.6 13.4 1.0 C5 A:CTP301 4.7 13.3 1.0 CZ A:ARG15 4.9 16.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Ispd From Mycobacterium Smegmatis in Complex with Ctp and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Ispd From Mycobacterium Smegmatis in Complex with Ctp and Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg300 b:27.5 occ:1.00 O1G B:CTP301 2.0 32.4 1.0 O B:HOH2203 2.0 26.9 1.0 O1B B:CTP301 2.1 28.6 1.0 O B:HOH2198 2.1 30.5 1.0 O1A B:CTP301 2.1 26.9 1.0 O B:HOH2201 2.3 29.5 1.0 PB B:CTP301 3.2 28.9 1.0 PG B:CTP301 3.2 30.3 1.0 PA B:CTP301 3.3 26.9 1.0 O3B B:CTP301 3.4 28.8 1.0 O3A B:CTP301 3.7 26.4 1.0 O2G B:CTP301 3.9 30.6 1.0 O5' B:CTP301 3.9 26.5 1.0 NH2 B:ARG15 3.9 34.7 1.0 O B:HOH2196 4.1 37.0 1.0 O B:HOH2197 4.1 31.8 1.0 O B:HOH2195 4.2 42.6 1.0 O3G B:CTP301 4.4 30.3 1.0 O B:HOH2067 4.5 30.0 1.0 O2B B:CTP301 4.5 28.8 1.0 C6 B:CTP301 4.6 28.1 1.0 O B:HOH2004 4.6 36.0 1.0 O2A B:CTP301 4.7 26.9 1.0 C5 B:CTP301 4.8 27.7 1.0 CZ B:ARG15 4.9 35.8 1.0

C.Bjorkelid, T.Bergfors, L.M.Henriksson, A.L.Stern, T.Unge, S.L.Mowbray, T.A.Jones. Structural and Functional Studies on Mycobacterial Ispd Enzymes Acta Crystallogr.,Sect.D V. 67 403 2011.
ISSN: ISSN 0907-4449
PubMed: 21543842
DOI: 10.1107/S0907444911006160