Magnesium in PDB 3q7u: Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Ctp

All present enzymatic activity of Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Ctp:
2.7.7.60;

The structure of Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Ctp, PDB code: 3q7u was solved by M.C.M.Reddy, J.B.Bruning, C.Thurman, T.R.Ioerger, J.C.Sacchettini, Tbstructural Genomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.38 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.214, 76.756, 131.538, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 23.6

The binding sites of Magnesium atom in the Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Ctp (pdb code 3q7u). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Ctp, PDB code: 3q7u:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Ctp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Ctp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg600 b:56.0 occ:1.00 O A:HOH361 2.4 49.5 1.0 O3G A:CTP500 2.7 27.9 1.0 O3A A:CTP500 2.8 42.1 1.0 O1B A:CTP500 2.8 35.8 1.0 O A:HOH362 3.0 58.6 1.0 PB A:CTP500 3.4 34.0 1.0 PG A:CTP500 3.8 29.8 1.0 O A:HOH364 4.0 55.5 1.0 PA A:CTP500 4.0 35.0 1.0 O A:HOH264 4.0 43.5 1.0 O3B A:CTP500 4.0 29.9 1.0 NH2 A:ARG20 4.2 31.9 1.0 O A:HOH266 4.2 42.1 1.0 O2A A:CTP500 4.2 46.3 1.0 O5' A:CTP500 4.3 31.0 1.0 O1G A:CTP500 4.3 29.2 1.0 O A:HOH387 4.4 47.5 1.0 O A:HOH368 4.5 46.1 1.0 C5 A:CTP500 4.5 32.8 1.0 C6 A:CTP500 4.6 31.1 1.0 O2B A:CTP500 4.7 37.0 1.0 O A:HOH308 4.8 45.1 1.0

Magnesium binding site 2 out of 2 in the Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Ctp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Ctp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg232 b:71.8 occ:1.00 O B:HOH337 2.5 53.0 1.0 O3G B:CTP500 2.7 42.7 1.0 O3A B:CTP500 2.8 67.3 1.0 O1B B:CTP500 2.9 53.1 1.0 O B:HOH389 3.2 51.0 1.0 PB B:CTP500 3.4 51.1 1.0 PG B:CTP500 3.7 51.4 1.0 O B:HOH411 3.8 57.9 1.0 O B:HOH338 3.8 51.0 1.0 O1G B:CTP500 3.9 45.2 1.0 O3B B:CTP500 4.0 95.3 1.0 PA B:CTP500 4.1 56.5 1.0 O B:HOH290 4.1 40.1 1.0 O2A B:CTP500 4.3 67.8 1.0 NH2 B:ARG20 4.4 41.6 1.0 O5' B:CTP500 4.5 62.0 1.0 C5 B:CTP500 4.5 39.9 1.0 C6 B:CTP500 4.6 38.1 1.0 O2B B:CTP500 4.7 51.7 1.0

M.C.M.Reddy, J.B.Bruning, C.Thurman, T.R.Ioerger, J.C.Sacchettini. Crystal Structure of Mycobacterium Tuberculosis 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd): A Candidate Antitubercular Drug Target Proteins 2011.
ISSN: ESSN 1097-0134