Magnesium in PDB 4rus: Carp Fishelectin, Holo Form

The structure of Carp Fishelectin, Holo Form, PDB code: 4rus was solved by S.Capaldi, B.Faggion, M.E.Carrizo, L.Destefanis, M.C.Gonzalez, M.Perduca, M.Bovi, M.Galliano, H.L.Monaco, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.67 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	204.410, 120.810, 69.270, 90.00, 91.42, 90.00
R / Rfree (%)	19.5 / 21.4

The structure of Carp Fishelectin, Holo Form also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

The binding sites of Magnesium atom in the Carp Fishelectin, Holo Form (pdb code 4rus). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Carp Fishelectin, Holo Form, PDB code: 4rus:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Carp Fishelectin, Holo Form


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Carp Fishelectin, Holo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg306 b:7.4 occ:1.00 OD1 A:ASP7 2.2 15.6 1.0 OD1 E:ASP7 2.2 15.8 1.0 OD1 D:ASP7 2.2 16.1 1.0 O E:HOH418 2.2 14.9 1.0 O A:HOH462 2.3 19.2 1.0 O D:HOH439 2.4 19.4 1.0 CG A:ASP7 3.3 15.2 1.0 CG E:ASP7 3.3 15.1 1.0 CG D:ASP7 3.3 15.5 1.0 CB E:ASP7 3.8 14.1 1.0 CB A:ASP7 3.8 14.4 1.0 CB D:ASP7 3.9 14.6 1.0 O E:HOH431 4.1 16.5 1.0 O E:HOH433 4.1 16.3 1.0 O A:HOH489 4.2 18.6 1.0 CA E:ASP7 4.2 13.4 1.0 CA A:ASP7 4.3 13.7 1.0 CA D:ASP7 4.3 13.8 1.0 OD2 A:ASP7 4.4 15.6 1.0 OD2 E:ASP7 4.4 15.6 1.0 OD2 D:ASP7 4.4 16.1 1.0 O E:HOH457 4.5 18.5 1.0 O D:HOH444 4.5 16.0 1.0 N E:GLY8 4.7 12.7 1.0 O E:HOH520 4.7 19.8 1.0 N D:GLY8 4.7 13.2 1.0 N A:GLY8 4.8 13.1 1.0 C E:ASP7 5.0 12.8 1.0

Magnesium binding site 2 out of 4 in the Carp Fishelectin, Holo Form


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Carp Fishelectin, Holo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg307 b:35.1 occ:1.00 OD2 A:ASP86 1.8 15.2 1.0 OD2 B:ASP86 2.0 13.1 1.0 O B:HOH522 2.1 21.7 1.0 O A:HOH565 2.2 24.0 1.0 CG A:ASP86 2.6 13.4 1.0 CG B:ASP86 2.7 12.0 1.0 OD1 A:ASP86 2.8 13.3 1.0 OD1 B:ASP86 2.9 11.8 1.0 OG A:SER150 3.0 16.2 1.0 OG B:SER150 3.3 12.0 1.0 O A:HOH463 3.8 14.9 1.0 O B:HOH443 3.8 13.6 1.0 CB A:ASP86 4.0 12.2 1.0 CB B:ASP86 4.2 11.4 1.0 CB A:SER150 4.2 15.3 1.0 CB B:SER150 4.6 11.8 1.0 O A:ASP86 4.6 11.1 1.0 O B:ASP86 4.8 10.5 1.0 SD A:MET103 5.0 19.6 1.0

Magnesium binding site 3 out of 4 in the Carp Fishelectin, Holo Form


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Carp Fishelectin, Holo Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg306 b:23.4 occ:1.00 OD2 D:ASP86 1.9 21.7 1.0 OD2 C:ASP86 2.1 21.9 1.0 O D:HOH524 2.1 27.9 1.0 O C:HOH507 2.3 30.5 1.0 CG D:ASP86 2.5 20.4 1.0 OD1 D:ASP86 2.6 20.2 1.0 OD1 C:ASP86 2.7 20.3 1.0 CG C:ASP86 2.7 20.1 1.0 OG D:SER150 3.1 26.5 1.0 OG C:SER150 3.4 24.9 1.0 CB D:ASP86 4.0 19.4 1.0 O C:HOH494 4.0 22.3 1.0 CB C:ASP86 4.2 19.1 1.0 CB D:SER150 4.3 26.5 1.0 O D:ASP86 4.5 18.5 1.0 CB C:SER150 4.5 24.0 1.0 O C:ASP86 4.7 17.4 1.0 CA D:ASP86 4.9 18.0 1.0 C D:ASP86 4.9 17.7 1.0

Magnesium binding site 4 out of 4 in the Carp Fishelectin, Holo Form


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Carp Fishelectin, Holo Form within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg306 b:16.6 occ:1.00 OD2 F:ASP86 2.0 21.3 1.0 OD2 E:ASP86 2.2 21.5 1.0 O E:HOH514 2.3 23.9 1.0 O F:HOH427 2.4 23.4 1.0 OD1 F:ASP86 2.5 20.2 1.0 OD1 E:ASP86 2.5 19.9 1.0 CG F:ASP86 2.6 20.0 1.0 O E:HOH519 2.6 25.6 1.0 CG E:ASP86 2.7 20.2 1.0 CB F:ASP86 4.1 19.2 1.0 CB E:ASP86 4.2 19.2 1.0 O E:HOH501 4.4 25.1 1.0 OG F:SER150 4.5 25.0 1.0 CB F:SER150 4.5 24.2 1.0 O F:ASP86 4.5 17.3 1.0 CB E:SER150 4.5 25.2 1.0 OG E:SER150 4.5 26.2 1.0 O E:ASP86 4.6 19.0 1.0 C F:ASP86 4.9 17.3 1.0 NE2 E:GLN87 4.9 19.3 1.0 NE2 F:GLN87 5.0 17.3 1.0 CA F:ASP86 5.0 17.9 1.0

S.Capaldi, B.Faggion, M.E.Carrizo, L.Destefanis, M.C.Gonzalez, M.Perduca, M.Bovi, M.Galliano, H.L.Monaco. Three Dimensional Structure and Ligand-Binding Site of Carp Fishelectin (Fel) Acta Crystallogr.,Sect.D V. 71 2015.
ISSN: ESSN 1399-0047
DOI: 10.1107/S1399004715004174