Magnesium in PDB 8ohk: Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry H01

All present enzymatic activity of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry H01:
2.7.7.85;

The structure of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry H01, PDB code: 8ohk was solved by T.B.Garbers, P.Neumann, J.Wollenhaupt, M.S.Weiss, R.Ficner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.81 / 1.26
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	119.07, 39.19, 67.91, 90, 94.95, 90
R / Rfree (%)	16.6 / 19.1

The binding sites of Magnesium atom in the Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry H01 (pdb code 8ohk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry H01, PDB code: 8ohk:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry H01


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry H01 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:30.0 occ:1.00 O A:HOH482 1.7 38.2 1.0 O A:HOH407 2.0 51.2 1.0 O A:HOH511 2.0 47.1 1.0 O A:HOH490 2.1 45.8 1.0 O A:HOH411 2.1 43.0 1.0 NE2 A:HIS170 2.2 30.3 1.0 CE1 A:HIS170 3.2 30.6 1.0 CD2 A:HIS170 3.3 30.1 1.0 HE1 A:HIS170 3.4 36.8 1.0 HD2 A:HIS170 3.4 36.1 1.0 H A:ASN166 3.4 33.7 1.0 OD1 A:ASP171 4.0 36.9 1.0 OD2 A:ASP171 4.1 36.4 1.0 HB3 A:PRO165 4.2 34.9 1.0 N A:ASN166 4.2 28.1 1.0 HA A:PRO165 4.3 33.6 1.0 ND1 A:HIS170 4.3 27.6 1.0 CG A:HIS170 4.4 27.7 1.0 HA A:ASN166 4.4 35.8 1.0 CG A:ASP171 4.4 35.2 1.0 HH22 A:ARG203 4.5 45.0 1.0 CA A:ASN166 4.9 29.8 1.0 CA A:PRO165 4.9 28.0 1.0 CB A:PRO165 5.0 29.0 1.0

Magnesium binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry H01


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X- Entry H01 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:18.4 occ:1.00 O B:HOH524 2.0 30.0 1.0 O B:HOH526 2.1 29.9 1.0 O B:HOH523 2.1 29.9 1.0 O B:HOH500 2.1 29.9 1.0 O B:HOH461 2.1 29.9 1.0 O B:HOH513 2.1 29.9 1.0 HB2 B:GLU239 3.8 23.5 1.0 O B:HOH460 4.1 21.3 1.0 O B:ARG238 4.1 17.8 1.0 O B:HOH476 4.3 46.7 1.0 CB B:GLU239 4.8 19.6 1.0 HG3 B:GLU239 5.0 23.4 1.0

T.B.Garbers, P.Neumann, J.Wollenhaupt, M.S.Weiss, R.Ficner. Pandda Analysis Group Deposition -- Cdaa in Complex with Fragment F2X-Entry H01 To Be Published.