Cobalt in PDB 6e2y: Mddef in Complex with Mvapp, Adp, Sulfate and Cobalt. Anomalous Data

All present enzymatic activity of Mddef in Complex with Mvapp, Adp, Sulfate and Cobalt. Anomalous Data:
4.1.1.33;

The structure of Mddef in Complex with Mvapp, Adp, Sulfate and Cobalt. Anomalous Data, PDB code: 6e2y was solved by C.V.Stauffacher, C.-L.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.61 / 2.34
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.878, 98.016, 45.872, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22.5

The binding sites of Cobalt atom in the Mddef in Complex with Mvapp, Adp, Sulfate and Cobalt. Anomalous Data (pdb code 6e2y). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Mddef in Complex with Mvapp, Adp, Sulfate and Cobalt. Anomalous Data, PDB code: 6e2y:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Mddef in Complex with Mvapp, Adp, Sulfate and Cobalt. Anomalous Data


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Mddef in Complex with Mvapp, Adp, Sulfate and Cobalt. Anomalous Data within 5.0Å range: probe atom residue distance (Å) B Occ A:Co404 b:33.3 occ:1.00 O2A A:ADP402 2.0 33.1 1.0 O3B A:ADP402 2.2 29.8 1.0 O1 A:SO4401 2.2 31.6 0.8 O1A A:DP6403 2.2 28.9 1.0 O A:HOH518 2.2 30.6 1.0 OG A:SER106 2.4 33.6 1.0 HG A:SER106 3.0 40.7 1.0 HG A:SER191 3.0 38.5 1.0 PA A:ADP402 3.2 38.0 1.0 HB3 A:SER106 3.3 36.5 1.0 S A:SO4401 3.3 27.8 0.8 PB A:ADP402 3.3 35.9 1.0 CB A:SER106 3.4 30.1 1.0 O3A A:ADP402 3.5 34.0 1.0 H A:SER106 3.5 36.0 1.0 PA A:DP6403 3.5 28.3 1.0 HA A:ALA104 3.5 37.9 1.0 O4 A:SO4401 3.6 25.5 0.8 H51 A:DP6403 3.7 27.4 1.0 OG A:SER191 3.8 31.7 1.0 HB2 A:SER191 3.9 40.0 1.0 O A:HOH516 3.9 32.0 1.0 O5' A:ADP402 3.9 30.9 1.0 O2 A:SO4401 4.0 28.9 0.8 HG A:SER140 4.0 26.3 1.0 O2B A:ADP402 4.0 36.8 1.0 HB2 A:SER106 4.1 36.5 1.0 OG A:SER140 4.1 21.5 1.0 O5 A:DP6403 4.1 24.9 1.0 H A:ALA107 4.2 38.3 1.0 O2A A:DP6403 4.2 27.4 1.0 N A:SER106 4.2 29.6 1.0 CB A:SER191 4.3 32.9 1.0 HZ2 A:LYS187 4.3 46.6 1.0 CA A:SER106 4.3 32.1 1.0 C5 A:DP6403 4.4 22.5 1.0 O3 A:SO4401 4.4 23.2 0.8 HG A:SER138 4.4 33.6 1.0 O1A A:ADP402 4.5 32.8 1.0 HB3 A:SER191 4.5 40.0 1.0 CA A:ALA104 4.5 31.1 1.0 OG A:SER138 4.5 27.6 1.0 O1B A:ADP402 4.5 39.1 1.0 O6 A:DP6403 4.6 21.4 1.0 N A:ALA107 4.7 31.6 1.0 HZ1 A:LYS187 4.7 46.6 1.0 H A:ALA104 4.7 42.4 1.0 C A:SER106 4.9 29.4 1.0 H52 A:DP6403 4.9 27.4 1.0 NZ A:LYS187 4.9 38.4 1.0 C A:ALA104 4.9 33.8 1.0

Cobalt binding site 2 out of 2 in the Mddef in Complex with Mvapp, Adp, Sulfate and Cobalt. Anomalous Data


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Mddef in Complex with Mvapp, Adp, Sulfate and Cobalt. Anomalous Data within 5.0Å range: probe atom residue distance (Å) B Occ A:Co405 b:35.9 occ:0.66 HO3A A:DP6403 1.6 31.2 1.0 OD2 A:ASP282 2.0 37.3 1.0 O1 A:DP6403 2.1 24.6 1.0 O4 A:SO4401 2.2 25.5 0.8 O A:HOH539 2.3 36.6 1.0 O3A A:DP6403 2.4 25.6 1.0 CG A:ASP282 2.8 29.3 1.0 C1 A:DP6403 3.0 22.0 1.0 H51 A:DP6403 3.1 27.4 1.0 HB3 A:ASP282 3.3 29.3 1.0 C3 A:DP6403 3.3 20.5 1.0 S A:SO4401 3.4 27.8 0.8 C2 A:DP6403 3.4 21.3 1.0 H22 A:DP6403 3.5 26.1 1.0 H A:ALA13 3.6 31.2 1.0 O3 A:SO4401 3.6 23.2 0.8 OD1 A:ASP282 3.6 30.6 1.0 HH22 A:ARG143 3.6 26.0 1.0 CB A:ASP282 3.6 24.1 1.0 H52 A:DP6403 3.6 27.4 1.0 C5 A:DP6403 3.7 22.5 1.0 HB2 A:ALA104 3.8 42.0 1.0 HB2 A:ALA13 3.8 24.1 1.0 HB3 A:ALA13 4.0 24.1 1.0 C4 A:DP6403 4.1 29.0 1.0 O A:HOH518 4.1 30.6 1.0 HB3 A:SER140 4.1 24.0 1.0 HB2 A:ASP282 4.1 29.3 1.0 HA A:ILE12 4.1 29.5 1.0 O2 A:DP6403 4.1 25.0 1.0 HH21 A:ARG143 4.1 26.0 1.0 O2 A:SO4401 4.2 28.9 0.8 NH2 A:ARG143 4.2 21.3 1.0 N A:ALA13 4.3 25.6 1.0 HB2 A:SER140 4.3 24.0 1.0 H21 A:DP6403 4.3 26.1 1.0 CB A:ALA13 4.4 19.7 1.0 O1 A:SO4401 4.5 31.6 0.8 HB1 A:ALA104 4.5 42.0 1.0 O A:ASN11 4.5 27.7 1.0 C3A A:DP6403 4.5 26.0 1.0 CB A:ALA104 4.5 34.6 1.0 H42 A:DP6403 4.6 35.2 1.0 H3A2 A:DP6403 4.6 31.6 1.0 CB A:SER140 4.6 19.6 1.0 H A:ALA283 4.7 32.3 1.0 HD13 A:ILE12 4.7 38.9 1.0 HA A:ALA104 4.7 37.9 1.0 HA A:ASP282 4.7 37.9 1.0 H3A1 A:DP6403 4.8 31.6 1.0 H41 A:DP6403 4.8 35.2 1.0 CA A:ASP282 4.8 31.2 1.0

C.V.Stauffacher, C.-L.Chen. Visualizing the Enzyme Mechanism of the Mevalonate Diphosphate Decarboxylase To Be Published.