Magnesium in PDB 1w78: E.Coli Folc in Complex with Dhpp and Adp

All present enzymatic activity of E.Coli Folc in Complex with Dhpp and Adp:
6.3.2.12;

The structure of E.Coli Folc in Complex with Dhpp and Adp, PDB code: 1w78 was solved by M.Mathieu, G.Debousker, S.Vincent, F.Viviani, N.Bamas-Jacques, V.Mikol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25. / 1.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.368, 80.620, 92.829, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 20.3

The binding sites of Magnesium atom in the E.Coli Folc in Complex with Dhpp and Adp (pdb code 1w78). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the E.Coli Folc in Complex with Dhpp and Adp, PDB code: 1w78:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the E.Coli Folc in Complex with Dhpp and Adp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of E.Coli Folc in Complex with Dhpp and Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1422 b:11.1 occ:1.00 O A:HOH2067 2.0 7.1 1.0 O24 A:PD81421 2.1 10.1 1.0 O A:HOH2256 2.1 7.6 1.0 O A:HOH2279 2.1 7.0 1.0 NE2 A:HIS173 2.2 12.4 1.0 O19 A:PD81421 2.3 13.8 1.0 C17 A:PD81421 3.1 13.7 1.0 CD2 A:HIS173 3.2 12.9 1.0 CE1 A:HIS173 3.3 13.1 1.0 P23 A:PD81421 3.3 9.9 1.0 O27 A:PD81421 3.6 11.8 1.0 NZ A:LYS60 3.9 4.1 1.0 OQ1 A:KCX188 4.1 11.8 1.0 O A:HOH2488 4.1 9.3 1.0 O25 A:PD81421 4.1 9.9 1.0 OQ2 A:KCX188 4.1 11.9 1.0 O A:THR57 4.2 6.8 1.0 C16 A:PD81421 4.3 19.6 1.0 OD2 A:ASP172 4.3 12.7 1.0 CG A:HIS173 4.3 12.4 1.0 ND1 A:HIS173 4.4 13.6 1.0 O26 A:PD81421 4.5 10.3 1.0 CX A:KCX188 4.5 8.5 1.0 O A:GLY148 4.6 8.6 1.0 C20 A:PD81421 4.7 24.2 1.0 CE A:LYS60 4.8 5.0 1.0 O A:HOH2484 4.8 22.5 1.0 CE1 A:HIS305 4.8 23.3 1.0 O A:HOH2420 4.8 25.2 1.0 CG A:ASP172 4.9 16.1 1.0 NZ A:LYS336 4.9 19.5 1.0

Magnesium binding site 2 out of 2 in the E.Coli Folc in Complex with Dhpp and Adp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of E.Coli Folc in Complex with Dhpp and Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1423 b:9.3 occ:1.00 OE2 A:GLU146 2.0 6.6 1.0 O26 A:PD81421 2.0 10.3 1.0 O A:HOH2217 2.1 8.0 1.0 O2B A:ADP1425 2.1 8.6 1.0 O A:HOH2487 2.2 6.7 1.0 O A:SER83 2.3 9.5 1.0 CD A:GLU146 3.0 10.2 1.0 OE1 A:GLU146 3.3 5.9 1.0 PB A:ADP1425 3.3 7.4 1.0 P23 A:PD81421 3.4 9.9 1.0 C A:SER83 3.5 11.6 1.0 O1B A:ADP1425 3.7 10.0 1.0 O25 A:PD81421 3.8 9.9 1.0 O A:HOH2105 3.8 7.2 1.0 CD A:PRO84 4.0 10.6 1.0 N A:GLY61 4.1 7.3 1.0 O27 A:PD81421 4.2 11.8 1.0 O3B A:ADP1425 4.2 9.4 1.0 O A:HOH2109 4.2 10.2 1.0 N A:PRO84 4.2 9.5 1.0 O2A A:ADP1425 4.3 10.8 1.0 CG A:GLU146 4.3 12.0 1.0 CE A:LYS60 4.3 5.0 1.0 CA A:GLY61 4.4 7.1 1.0 O24 A:PD81421 4.5 10.1 1.0 N A:SER83 4.5 8.7 1.0 NH2 A:ARG289 4.5 10.8 1.0 CB A:LYS60 4.6 7.6 1.0 O3A A:ADP1425 4.6 10.7 1.0 NZ A:LYS60 4.6 4.1 1.0 CA A:SER83 4.6 8.3 1.0

M.Mathieu, G.Debousker, S.Vincent, F.Viviani, N.Bamas-Jacques, V.Mikol. Escherichia Coli Folc Structure Reveals An Unexpected Dihydrofolate Binding Site Providing An Attractive Target For Anti-Microbial Therapy J.Biol.Chem. V. 280 18916 2005.
ISSN: ISSN 0021-9258
PubMed: 15705579
DOI: 10.1074/JBC.M413799200