Magnesium in PDB 3q80: Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me

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

The structure of Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me, PDB code: 3q80 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)	24.80 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.581, 92.668, 146.421, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 20.2

The structure of Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Magnesium atom in the Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me (pdb code 3q80). 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 Cdp-Me, PDB code: 3q80:
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 Cdp-Me


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 Cdp-Me within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg232 b:74.6 occ:1.00 O A:HOH385 2.6 27.1 1.0 O A:HOH328 2.6 52.1 1.0 O A:HOH414 2.7 48.7 1.0 O A:HOH386 2.9 34.2 1.0 O2A A:CDM500 3.2 28.9 1.0 O A:HOH387 3.3 39.4 1.0 O A:HOH364 4.0 33.7 1.0 O A:HOH401 4.0 46.6 1.0 CL A:CL234 4.0 59.6 1.0 C5 A:CDM500 4.4 27.5 1.0 C6 A:CDM500 4.5 32.5 1.0 O A:HOH388 4.5 49.0 1.0 O2B A:CDM500 4.6 26.7 1.0 O1B A:CDM500 4.6 25.5 1.0 PA A:CDM500 4.6 27.1 1.0 O A:HOH400 4.7 47.4 1.0 O A:HOH399 4.7 42.4 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 Cdp-Me


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 Cdp-Me within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg232 b:33.2 occ:1.00 O2A B:CDM501 2.1 30.2 1.0 O B:HOH278 2.2 29.3 1.0 O B:HOH390 2.2 27.7 1.0 O B:HOH392 2.2 29.4 1.0 O B:HOH391 2.3 27.9 1.0 O B:HOH394 2.3 34.8 1.0 PA B:CDM501 3.5 25.5 1.0 O2B B:CDM501 4.0 28.2 1.0 O B:HOH379 4.0 28.5 1.0 O5' B:CDM501 4.0 26.1 1.0 OE2 B:GLU19 4.1 33.4 1.0 O B:HOH280 4.1 57.7 1.0 O1B B:CDM501 4.1 27.7 1.0 O B:HOH253 4.1 31.8 1.0 C6 B:CDM501 4.2 26.7 1.0 PB B:CDM501 4.3 27.5 1.0 O3A B:CDM501 4.3 24.6 1.0 O B:HOH247 4.4 27.2 1.0 O1A B:CDM501 4.6 25.7 1.0 C5 B:CDM501 4.6 29.6 1.0 CD B:GLU19 4.8 33.9 1.0 OE1 B:GLU19 4.8 29.4 1.0 CL B:CL234 5.0 30.5 1.0 CL B:CL233 5.0 34.5 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