Magnesium in PDB 5ex1: Crystal Structure of Cyclophilin AQUACYP300 From Hirschia Baltica

The structure of Crystal Structure of Cyclophilin AQUACYP300 From Hirschia Baltica, PDB code: 5ex1 was solved by R.P.Jakob, T.Maier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	88.68 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.590, 103.180, 173.530, 90.00, 91.16, 90.00
R / Rfree (%)	17.4 / 21.3

The binding sites of Magnesium atom in the Crystal Structure of Cyclophilin AQUACYP300 From Hirschia Baltica (pdb code 5ex1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Cyclophilin AQUACYP300 From Hirschia Baltica, PDB code: 5ex1:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Cyclophilin AQUACYP300 From Hirschia Baltica


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Cyclophilin AQUACYP300 From Hirschia Baltica within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:29.5 occ:1.00 O B:HOH584 2.0 34.0 1.0 O B:HOH435 2.0 32.9 1.0 O D:HOH430 2.0 29.2 1.0 O B:HOH455 2.1 30.7 1.0 OD1 D:ASP171 2.1 21.9 1.0 OD1 B:ASP171 2.2 29.8 1.0 CG B:ASP171 3.1 27.9 1.0 CG D:ASP171 3.2 22.6 1.0 OD2 B:ASP171 3.2 29.9 1.0 H D:ALA172 3.3 27.7 1.0 H B:ALA172 3.5 26.9 1.0 OD2 D:ASP171 3.5 28.6 1.0 O D:HOH355 3.8 42.6 1.0 HB3 D:ALA172 4.0 34.0 1.0 O B:HOH403 4.0 54.7 1.0 HB3 B:ALA172 4.1 24.1 1.0 O D:HOH322 4.1 42.0 1.0 N D:ALA172 4.2 23.1 1.0 HB2 D:ALA172 4.2 34.0 1.0 O B:HOH410 4.3 41.7 1.0 N B:ALA172 4.3 22.4 1.0 HG3 B:PRO148 4.4 24.9 1.0 HA D:ASP171 4.4 25.6 1.0 HG3 D:PRO148 4.4 32.9 1.0 O B:HOH432 4.4 43.5 1.0 HB2 B:ALA172 4.4 24.1 1.0 O B:HOH441 4.5 46.4 1.0 CB B:ASP171 4.5 24.0 1.0 CB D:ASP171 4.5 21.6 1.0 CB D:ALA172 4.5 28.4 1.0 O B:HOH470 4.5 44.7 1.0 HA B:ASP171 4.6 26.0 1.0 O D:HOH373 4.7 52.1 1.0 CB B:ALA172 4.7 20.1 1.0 HD3 D:PRO148 4.7 32.7 1.0 HB3 B:ASP171 4.8 28.8 1.0 CA D:ASP171 4.8 21.4 1.0 HB3 D:ASP171 4.9 25.9 1.0 HG2 B:PRO148 4.9 24.9 1.0 CA B:ASP171 4.9 21.7 1.0 CA D:ALA172 5.0 24.6 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Cyclophilin AQUACYP300 From Hirschia Baltica


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Cyclophilin AQUACYP300 From Hirschia Baltica within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:28.0 occ:1.00 O F:HOH384 2.0 27.7 1.0 OD1 C:ASP171 2.0 22.7 1.0 OD1 F:ASP171 2.0 28.3 1.0 O C:HOH572 2.1 28.5 1.0 O F:HOH429 2.1 31.4 1.0 O F:HOH458 2.7 48.0 1.0 CG F:ASP171 3.0 25.9 1.0 CG C:ASP171 3.0 24.7 1.0 OD2 F:ASP171 3.2 31.1 1.0 OD2 C:ASP171 3.3 27.4 1.0 H C:ALA172 3.3 23.1 1.0 H F:ALA172 3.3 26.1 1.0 HG3 C:PRO148 4.0 21.1 1.0 O C:HOH458 4.0 35.8 1.0 HB3 F:ALA172 4.1 23.8 1.0 HB3 C:ALA172 4.1 20.4 1.0 N C:ALA172 4.2 19.3 1.0 N F:ALA172 4.2 21.7 1.0 HG3 F:PRO148 4.2 27.8 1.0 O C:HOH471 4.3 25.6 1.0 HA C:ASP171 4.3 20.8 1.0 HB2 C:ALA172 4.3 20.4 1.0 HB2 F:ALA172 4.3 23.8 1.0 HA F:ASP171 4.4 26.7 1.0 CB F:ASP171 4.4 22.6 1.0 CB C:ASP171 4.4 19.6 1.0 O F:HOH351 4.5 26.9 1.0 O C:HOH461 4.5 35.0 1.0 O F:HOH316 4.5 38.0 1.0 HG2 C:PRO148 4.6 21.1 1.0 O F:HOH309 4.6 35.3 1.0 CB F:ALA172 4.6 19.8 1.0 CB C:ALA172 4.6 17.0 1.0 HG2 F:PRO148 4.7 27.8 1.0 CA C:ASP171 4.7 17.3 1.0 CG C:PRO148 4.7 17.6 1.0 CA F:ASP171 4.8 22.3 1.0 HB3 F:ASP171 4.8 27.1 1.0 HB3 C:ASP171 4.8 23.5 1.0 CG F:PRO148 4.9 23.2 1.0 HB2 F:ASP171 5.0 27.1 1.0 HB2 C:ASP171 5.0 23.5 1.0 C C:ASP171 5.0 23.1 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Cyclophilin AQUACYP300 From Hirschia Baltica


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Cyclophilin AQUACYP300 From Hirschia Baltica within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg301 b:24.0 occ:1.00 O E:HOH565 2.0 27.7 1.0 O E:HOH524 2.1 24.4 1.0 OD1 E:ASP171 2.2 26.1 1.0 CG E:ASP171 3.1 24.8 1.0 OD2 E:ASP171 3.3 26.2 1.0 H E:ALA172 3.5 24.6 1.0 O E:HOH444 4.1 32.6 1.0 HB3 E:ALA172 4.1 26.2 1.0 HG3 E:PRO148 4.2 30.9 1.0 N E:ALA172 4.3 20.5 1.0 O E:HOH404 4.3 32.3 1.0 HB2 E:ALA172 4.4 26.2 1.0 O E:HOH474 4.4 27.4 1.0 HA E:ASP171 4.5 25.9 1.0 CB E:ASP171 4.5 23.1 1.0 O E:HOH534 4.6 47.6 1.0 CB E:ALA172 4.7 21.9 1.0 HG2 E:PRO148 4.7 30.9 1.0 CG E:PRO148 4.9 25.8 1.0 HB3 E:ASP171 4.9 27.7 1.0 CA E:ASP171 4.9 21.6 1.0

R.P.Jakob, P.A.Schmidpeter, J.R.Koch, F.X.Schmid, T.Maier. Structural and Functional Characterization of A Novel Family of Cyclophilins, the Aquacyps. Plos One V. 11 57070 2016.
ISSN: ESSN 1932-6203
PubMed: 27276069
DOI: 10.1371/JOURNAL.PONE.0157070