Magnesium in PDB 4no4: Crystal Structure of Galectin-1 L11A Mutant

The structure of Crystal Structure of Galectin-1 L11A Mutant, PDB code: 4no4 was solved by M.Dessau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.97 / 1.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	112.520, 193.830, 108.170, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 19.7

The binding sites of Magnesium atom in the Crystal Structure of Galectin-1 L11A Mutant (pdb code 4no4). 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 Galectin-1 L11A Mutant, PDB code: 4no4:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Galectin-1 L11A Mutant


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 Galectin-1 L11A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:27.6 occ:1.00 O B:HOH377 2.7 23.7 1.0 O B:HOH394 2.7 29.0 1.0 O A:HOH310 2.8 19.1 0.9 O A:GLU72 2.8 14.7 1.0 HB2 A:GLN73 3.0 15.8 1.0 HG22 A:THR71 3.1 19.9 1.0 HA3 B:GLY54 3.1 21.1 1.0 HA2 B:GLY54 3.2 21.1 1.0 HA A:GLN73 3.2 15.9 1.0 CA B:GLY54 3.6 17.6 1.0 C A:GLU72 3.6 13.7 1.0 HG3 A:GLN73 3.7 16.3 1.0 CB A:GLN73 3.7 13.2 1.0 HG21 A:THR71 3.7 19.9 1.0 HH22 A:ARG112 3.7 19.9 1.0 CA A:GLN73 3.8 13.2 1.0 CG2 A:THR71 3.8 16.6 1.0 HH21 A:ARG112 3.8 19.9 1.0 O B:HOH492 3.9 52.8 1.0 N A:GLN73 4.0 13.3 1.0 NH2 A:ARG112 4.1 16.6 1.0 CG A:GLN73 4.2 13.6 1.0 O B:HOH437 4.2 55.0 1.0 HB A:THR71 4.3 20.6 1.0 O A:THR71 4.3 13.5 1.0 O B:GLY54 4.3 16.8 1.0 HO3 A:GOL204 4.4 41.5 1.0 OE1 A:GLN73 4.5 15.2 1.0 C B:GLY54 4.5 18.3 1.0 HB3 A:GLN73 4.5 15.8 1.0 HG23 A:THR71 4.5 19.9 1.0 O A:HOH424 4.6 53.3 1.0 C A:THR71 4.6 13.6 1.0 CB A:THR71 4.6 17.2 1.0 N B:GLY54 4.7 16.0 1.0 H A:GLN73 4.7 16.0 1.0 O A:HOH426 4.7 49.5 1.0 CD A:GLN73 4.8 14.4 1.0 CA A:GLU72 4.9 13.6 1.0 O B:HOH355 4.9 38.3 1.0 N A:GLU72 4.9 13.6 1.0 O B:HOH306 5.0 16.0 1.0 HG2 A:GLN73 5.0 16.3 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Galectin-1 L11A Mutant


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 Galectin-1 L11A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg201 b:65.3 occ:1.00 HD22 A:ASN9 2.3 23.4 1.0 HA C:ASP124 2.6 19.6 1.0 O C:GLY125 2.8 18.8 1.0 HB3 A:ASN9 3.0 17.3 1.0 HB2 A:ASN9 3.1 17.3 1.0 ND2 A:ASN9 3.1 19.5 1.0 H C:GLY125 3.1 18.6 1.0 HA2 C:GLY4 3.1 23.4 1.0 O C:PHE127 3.3 21.9 1.0 N C:GLY125 3.3 15.5 1.0 CB A:ASN9 3.4 14.4 1.0 HB2 C:ASP124 3.4 28.4 1.0 CA C:ASP124 3.4 16.3 1.0 O C:HOH333 3.4 30.1 1.0 O C:CYS3 3.4 31.0 1.0 O C:HOH343 3.5 29.1 1.0 HD1 C:PHE127 3.6 43.5 1.0 C C:ASP124 3.6 14.8 1.0 HD21 A:ASN9 3.7 23.4 1.0 H C:PHE127 3.7 23.0 1.0 CG A:ASN9 3.7 18.6 1.0 O C:HOH353 3.8 33.2 1.0 C C:GLY125 3.8 17.6 1.0 HE1 C:PHE127 3.8 43.1 1.0 CB C:ASP124 3.9 23.7 1.0 SG C:CYS3 3.9 57.4 1.0 C C:CYS3 4.0 24.9 1.0 CA C:GLY4 4.0 19.5 1.0 CA C:GLY125 4.1 17.1 1.0 CD1 C:PHE127 4.2 36.3 1.0 N C:GLY4 4.3 22.3 1.0 CE1 C:PHE127 4.3 35.9 1.0 HB3 C:ASP124 4.3 28.4 1.0 O C:ALA123 4.4 17.4 1.0 HA3 C:GLY4 4.4 23.4 1.0 C C:PHE127 4.5 20.6 1.0 N C:PHE127 4.5 19.2 1.0 O C:ASP124 4.5 15.2 1.0 HG C:CYS3 4.5 68.8 1.0 N C:ASP124 4.6 16.8 1.0 HA2 C:GLY125 4.7 20.5 1.0 CA A:ASN9 4.8 15.1 1.0 HA3 C:GLY125 4.9 20.5 1.0 C C:ALA123 4.9 19.2 1.0 OD1 A:ASN9 4.9 17.7 1.0 H C:GLY4 4.9 26.8 1.0 HA A:ASN9 4.9 18.1 1.0 N C:ASP126 4.9 16.6 1.0 HD3 C:LYS128 5.0 26.2 1.0 HA C:LYS128 5.0 20.3 1.0 HZ3 C:LYS128 5.0 32.2 1.0 H C:LEU5 5.0 17.6 1.0 CB C:CYS3 5.0 32.8 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Galectin-1 L11A Mutant


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 Galectin-1 L11A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg201 b:76.2 occ:1.00 HO1 A:GOL204 2.5 37.5 1.0 O A:HOH412 2.6 29.1 1.0 O1 A:GOL204 2.6 31.3 1.0 OG1 F:THR76 2.7 16.0 1.0 HG1 F:THR76 2.7 19.2 1.0 O A:HOH408 2.7 33.0 1.0 HA F:ALA77 3.1 18.7 1.0 HB F:THR76 3.4 15.6 1.0 H2 A:GOL204 3.4 64.0 1.0 C F:THR76 3.5 14.8 1.0 O F:THR76 3.5 15.0 1.0 N F:ALA77 3.5 14.6 1.0 CB F:THR76 3.5 13.0 1.0 C1 A:GOL204 3.6 48.7 1.0 HG23 A:THR76 3.6 18.5 1.0 H11 A:GOL204 3.7 58.4 1.0 CA F:ALA77 3.7 15.6 1.0 O F:HOH403 3.8 38.6 1.0 HB2 F:ALA77 3.9 21.6 1.0 H F:ALA77 3.9 17.5 1.0 C2 A:GOL204 4.0 53.4 1.0 H A:THR76 4.1 17.4 1.0 OG1 A:THR76 4.1 16.8 1.0 O A:HOH313 4.1 18.3 0.8 CA F:THR76 4.2 12.9 1.0 HG21 A:THR76 4.2 18.5 1.0 CG2 A:THR76 4.3 15.4 1.0 CB F:ALA77 4.3 18.0 1.0 O F:HOH301 4.3 39.8 1.0 HE2 F:HIS105 4.5 20.9 1.0 H12 A:GOL204 4.5 58.4 1.0 O F:HOH482 4.6 34.1 1.0 HA A:GLU75 4.6 15.6 1.0 HG1 A:THR76 4.7 20.1 1.0 OE1 A:GLU75 4.7 16.6 1.0 O F:HOH437 4.8 34.5 1.0 HB1 F:ALA77 4.8 21.6 1.0 NE2 F:HIS105 4.8 17.4 1.0 H F:THR76 4.8 15.5 1.0 CG2 F:THR76 4.8 15.6 1.0 H31 A:GOL204 4.8 63.6 1.0 CB A:THR76 4.8 14.6 1.0 HG21 F:THR76 4.9 18.7 1.0 N A:THR76 4.9 14.5 1.0 HA F:THR76 4.9 15.5 1.0 O2 A:GOL204 4.9 34.7 1.0 H F:PHE78 4.9 19.2 1.0 C F:ALA77 5.0 18.3 1.0 N F:THR76 5.0 12.9 1.0 O F:HOH442 5.0 41.5 1.0

M.Dessau, O.Segev. Crystal Structure of Galectin-1 L11A Mutant To Be Published.