Magnesium in PDB 6skr: Oxa-10_ETP. Structural Insight to the Enhanced Carbapenem Efficiency of Oxa-655 Compared to Oxa-10.

All present enzymatic activity of Oxa-10_ETP. Structural Insight to the Enhanced Carbapenem Efficiency of Oxa-655 Compared to Oxa-10.:
3.5.2.6;

The structure of Oxa-10_ETP. Structural Insight to the Enhanced Carbapenem Efficiency of Oxa-655 Compared to Oxa-10., PDB code: 6skr was solved by H.-K.S.Leiros, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.28 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.388, 94.776, 125.588, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 22.7

The binding sites of Magnesium atom in the Oxa-10_ETP. Structural Insight to the Enhanced Carbapenem Efficiency of Oxa-655 Compared to Oxa-10. (pdb code 6skr). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Oxa-10_ETP. Structural Insight to the Enhanced Carbapenem Efficiency of Oxa-655 Compared to Oxa-10., PDB code: 6skr:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Oxa-10_ETP. Structural Insight to the Enhanced Carbapenem Efficiency of Oxa-655 Compared to Oxa-10.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Oxa-10_ETP. Structural Insight to the Enhanced Carbapenem Efficiency of Oxa-655 Compared to Oxa-10. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:33.9 occ:1.00 HAE A:1RG301 2.7 24.9 1.0 HD23 A:LEU155 2.8 19.6 1.0 CAA A:1RG301 2.8 14.0 1.0 HB1 A:ALA66 2.8 14.7 1.0 HAA A:1RG301 2.8 16.8 1.0 OQ1 A:KCX70 2.9 15.5 1.0 N A:SER67 3.0 15.6 1.0 O A:HOH607 3.0 17.3 1.0 OG A:SER67 3.0 19.5 1.0 H A:SER67 3.0 18.8 1.0 OAC A:1RG301 3.0 13.6 1.0 HD21 A:LEU155 3.0 19.6 1.0 HD22 A:LEU155 3.1 19.6 1.0 CD2 A:LEU155 3.1 16.4 1.0 HA A:SER67 3.2 20.7 1.0 HA A:ALA66 3.2 17.3 1.0 C A:ALA66 3.3 14.8 1.0 HAB A:1RG301 3.3 19.5 1.0 CAB A:1RG301 3.4 16.2 1.0 CAE A:1RG301 3.4 20.8 1.0 CA A:SER67 3.4 17.2 1.0 CA A:ALA66 3.5 14.4 1.0 CB A:ALA66 3.5 12.3 1.0 HZ A:KCX70 3.5 18.2 1.0 CB A:SER67 3.7 15.8 1.0 HG22 A:VAL117 3.8 16.6 1.0 HAFA A:1RG301 3.8 24.5 1.0 CX A:KCX70 3.9 16.4 1.0 HD1 A:TRP154 4.0 14.4 1.0 HG21 A:VAL117 4.0 16.6 1.0 O A:ALA66 4.0 13.9 1.0 HE1 A:TRP154 4.1 16.5 1.0 HB2 A:SER67 4.1 19.0 1.0 HB2 A:ALA66 4.1 14.7 1.0 NZ A:KCX70 4.1 15.2 1.0 HB3 A:ALA66 4.2 14.7 1.0 CAF A:1RG301 4.2 20.4 1.0 CG2 A:VAL117 4.3 13.8 1.0 OAG A:1RG301 4.4 20.8 1.0 O A:PHE208 4.5 21.4 1.0 HB3 A:SER67 4.5 19.0 1.0 HAFB A:1RG301 4.6 24.5 1.0 HA A:LEU155 4.6 16.9 1.0 O A:HOH698 4.6 38.3 1.0 NE1 A:TRP154 4.6 13.7 1.0 CD1 A:TRP154 4.6 12.0 1.0 HG23 A:VAL117 4.6 16.6 1.0 HOAG A:1RG301 4.6 24.9 1.0 H A:PHE208 4.6 17.9 1.0 CG A:LEU155 4.7 14.7 1.0 O A:HOH495 4.7 23.1 1.0 CAD A:1RG301 4.8 18.2 1.0 HA A:SER209 4.9 20.7 1.0 HG A:SER115 4.9 28.5 1.0 C A:SER67 4.9 16.9 1.0 HG A:LEU155 4.9 17.6 1.0 N A:ALA66 4.9 14.5 1.0 HAF A:1RG301 5.0 24.5 1.0

Magnesium binding site 2 out of 2 in the Oxa-10_ETP. Structural Insight to the Enhanced Carbapenem Efficiency of Oxa-655 Compared to Oxa-10.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Oxa-10_ETP. Structural Insight to the Enhanced Carbapenem Efficiency of Oxa-655 Compared to Oxa-10. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:40.2 occ:1.00 O A:HOH476 1.8 47.6 1.0 O A:ASP242 2.8 22.1 1.0 HB2 A:ASP242 2.9 25.5 1.0 HB A:VAL211 3.3 28.6 1.0 O A:HOH604 3.4 31.8 1.0 HG23 A:VAL211 3.7 28.5 1.0 HG21 A:VAL211 3.8 28.5 1.0 HA A:THR213 3.8 51.0 0.5 C A:ASP242 3.8 22.9 1.0 CB A:ASP242 3.8 21.2 1.0 O A:VAL211 4.0 21.3 1.0 CG2 A:VAL211 4.0 23.8 1.0 CB A:VAL211 4.1 23.8 1.0 HA A:ASP242 4.2 25.7 1.0 CA A:ASP242 4.3 21.4 1.0 O A:GLY212 4.4 40.4 0.5 HB3 A:ASP242 4.5 25.5 1.0 CG A:ASP242 4.5 26.6 1.0 C A:THR213 4.5 46.6 0.5 CA A:THR213 4.6 42.5 0.5 HG11 A:VAL211 4.6 32.7 1.0 O A:GLY212 4.7 41.0 0.5 N A:GLU214 4.8 53.9 0.5 C A:VAL211 4.8 23.9 1.0 H A:GLU214 4.8 64.7 0.5 HA A:ASN243 4.8 28.3 1.0 CG1 A:VAL211 4.9 27.3 1.0 OD1 A:ASP242 4.9 25.9 1.0 O A:THR213 4.9 46.8 0.5 HB2 A:ASN243 5.0 31.9 1.0 N A:ASN243 5.0 22.7 1.0 OD2 A:ASP242 5.0 28.8 1.0

H.-K.S.Leiros, A.M.Thomassen, O.Samuelsen, C.-F.Flach, S.D.Kotsakis, D.G.J.Larsson. Structural Insight to the Enhanced Carbapenem Efficiency of Oxa-655 Compared to Oxa-10. To Be Published.