Magnesium in PDB 8sjc: Crystal Structure of ZN2+ Bound Calprotectin

The structure of Crystal Structure of ZN2+ Bound Calprotectin, PDB code: 8sjc was solved by Y.R.Perera, V.Garcia, R.M.Guillen, W.J.Chazin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.63 / 1.87
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	114.611, 114.611, 53.182, 90, 90, 120
R / Rfree (%)	16.5 / 19.7

The structure of Crystal Structure of ZN2+ Bound Calprotectin also contains other interesting chemical elements:

Calcium	(Ca)	9 atoms
Zinc	(Zn)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of ZN2+ Bound Calprotectin (pdb code 8sjc). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of ZN2+ Bound Calprotectin, PDB code: 8sjc:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of ZN2+ Bound Calprotectin


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 ZN2+ Bound Calprotectin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:20.1 occ:1.00 O B:ALA28 2.2 19.5 1.0 O B:LYS23 2.3 17.7 1.0 O B:SER20 2.3 20.3 1.0 O B:HOH217 2.4 17.5 1.0 O B:ASN25 2.5 15.6 1.0 HE2 B:TYR30 3.0 25.6 1.0 HA B:SER20 3.1 25.4 1.0 H B:LYS23 3.2 23.4 1.0 H B:ALA28 3.3 23.3 1.0 C B:SER20 3.3 19.4 1.0 C B:ALA28 3.4 17.1 1.0 HB3 B:ALA28 3.4 28.3 1.0 C B:LYS23 3.5 19.1 1.0 C B:ASN25 3.6 16.3 1.0 CE2 B:TYR30 3.6 21.3 1.0 CA B:SER20 3.7 21.2 1.0 O B:HOH225 3.9 40.9 1.0 HB2 B:SER20 3.9 23.9 1.0 N B:ALA28 4.0 19.4 1.0 HA B:PHE26 4.0 19.4 1.0 N B:LYS23 4.0 19.5 1.0 CA B:ALA28 4.0 14.6 1.0 HD2 B:TYR30 4.1 21.3 1.0 N B:ASN25 4.1 20.8 1.0 HG3 B:LYS23 4.1 27.6 1.0 CB B:ALA28 4.2 23.6 1.0 CD2 B:TYR30 4.2 17.8 1.0 C B:GLY24 4.2 22.2 1.0 HA B:VAL29 4.2 22.2 1.0 H B:ASN25 4.3 25.0 1.0 CA B:LYS23 4.4 19.2 1.0 CB B:SER20 4.4 19.9 1.0 O B:TYR19 4.4 18.8 1.0 N B:LEU21 4.4 19.7 1.0 CZ B:TYR30 4.4 20.0 1.0 H B:ILE22 4.4 19.6 1.0 CA B:ASN25 4.5 16.3 1.0 HA3 B:GLY24 4.5 24.4 1.0 HA B:LEU21 4.5 22.9 1.0 N B:VAL29 4.5 20.6 1.0 N B:GLY24 4.5 20.4 1.0 O B:GLY24 4.5 16.7 1.0 HB3 B:ASN25 4.5 18.3 1.0 N B:PHE26 4.5 23.0 1.0 OD2 B:ASP33 4.6 27.2 1.0 CA B:PHE26 4.6 16.1 1.0 OH B:TYR30 4.6 17.8 1.0 HB1 B:ALA28 4.6 28.3 1.0 CA B:GLY24 4.6 20.3 1.0 C B:PHE26 4.7 19.2 1.0 N B:ILE22 4.7 16.4 1.0 H B:TYR30 4.8 25.2 1.0 CA B:VAL29 4.9 18.5 1.0 CA B:LEU21 4.9 19.1 1.0 HB2 B:ALA28 4.9 28.3 1.0 CG B:LYS23 4.9 23.0 1.0 N B:SER20 4.9 19.7 1.0 HG2 B:LYS23 4.9 27.6 1.0 HB B:ILE22 4.9 22.1 1.0 HA B:ALA28 5.0 17.6 1.0 HG B:SER20 5.0 22.1 1.0 N B:HIS27 5.0 18.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of ZN2+ Bound Calprotectin


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 ZN2+ Bound Calprotectin within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg201 b:16.9 occ:1.00 O C:THR27 2.3 23.2 1.0 O C:SER19 2.4 23.6 1.0 O C:LEU22 2.4 33.3 1.0 O C:HIS24 2.4 28.7 1.0 O C:HOH310 2.4 32.8 1.0 OE1 C:GLU32 2.7 30.8 1.0 OE2 C:GLU32 2.9 30.9 1.0 CD C:GLU32 3.1 27.1 1.0 HA C:SER19 3.4 25.4 1.0 H C:LEU22 3.4 44.1 1.0 C C:SER19 3.4 25.8 1.0 C C:THR27 3.5 24.4 1.0 C C:HIS24 3.6 27.9 1.0 C C:LEU22 3.6 42.8 1.0 H C:THR27 3.7 29.6 1.0 HA C:LEU28 3.8 28.2 1.0 HA C:PRO25 3.8 34.3 1.0 H C:ASN29 3.9 29.9 1.0 CA C:SER19 3.9 21.2 1.0 HG1 C:THR27 4.0 29.5 1.0 HB2 C:SER19 4.0 26.1 1.0 N C:HIS24 4.1 32.8 1.0 H C:HIS24 4.1 39.4 1.0 N C:LEU22 4.1 36.8 1.0 C C:GLY23 4.3 38.6 1.0 N C:THR27 4.4 24.6 1.0 CA C:HIS24 4.4 29.3 1.0 N C:LEU28 4.4 23.0 1.0 OG1 C:THR27 4.4 24.6 1.0 CA C:PRO25 4.4 28.6 1.0 HB2 C:LEU22 4.4 42.8 1.0 N C:PRO25 4.4 31.9 1.0 CA C:LEU22 4.4 39.0 1.0 HA3 C:GLY23 4.4 41.1 1.0 CA C:LEU28 4.5 23.5 1.0 HB3 C:HIS24 4.5 42.8 1.0 N C:ASN29 4.5 24.9 1.0 CA C:THR27 4.5 22.8 1.0 CB C:SER19 4.5 21.8 1.0 HE22 C:GLN69 4.6 64.3 1.0 HE21 C:GLN69 4.6 64.3 1.0 N C:VAL20 4.6 24.7 1.0 N C:GLY23 4.6 33.7 1.0 H C:LYS21 4.6 39.8 1.0 HA C:VAL20 4.6 32.2 1.0 O C:GLY23 4.6 37.5 1.0 CA C:GLY23 4.7 34.2 1.0 C C:PRO25 4.7 29.1 1.0 CG C:GLU32 4.7 27.6 1.0 O C:TYR18 4.7 23.4 1.0 N C:LYS21 4.8 33.2 1.0 C C:LEU28 4.9 24.8 1.0 HD23 C:LEU28 4.9 28.7 1.0 NE2 C:GLN69 4.9 53.6 1.0 C C:VAL20 4.9 33.7 1.0 CA C:VAL20 5.0 26.8 1.0 HB3 C:ASN29 5.0 29.3 1.0

Y.R.Perera, V.Garcia, R.M.Guillen, W.J.Chazin. Crystal Structure of ZN2+ Bound Calprotectin To Be Published.