Magnesium in PDB 4qqo: Crystal Structure of C1QL3 Mutant D205A

The structure of Crystal Structure of C1QL3 Mutant D205A, PDB code: 4qqo was solved by S.Ressl, A.T.Brunger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.24 / 2.03
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	68.480, 68.480, 65.730, 90.00, 90.00, 120.00
R / Rfree (%)	14.7 / 16.8

The binding sites of Magnesium atom in the Crystal Structure of C1QL3 Mutant D205A (pdb code 4qqo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of C1QL3 Mutant D205A, PDB code: 4qqo:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of C1QL3 Mutant D205A


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 C1QL3 Mutant D205A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:24.9 occ:1.00 OD2 A:ASP72 2.5 14.5 1.0 O A:HOH369 2.8 38.6 1.0 OG A:SER82 3.1 6.7 1.0 CG A:ASP72 3.4 4.7 1.0 OD1 A:ASP72 3.8 8.2 1.0 CG1 A:VAL79 3.9 4.7 1.0 CB A:SER82 4.0 5.0 1.0 O A:HOH333 4.1 21.0 1.0 CG2 A:VAL79 4.4 14.7 1.0 CB A:ASP72 4.5 5.1 1.0 CB A:VAL79 4.8 7.5 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of C1QL3 Mutant D205A


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 C1QL3 Mutant D205A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:17.7 occ:0.33 OD2 A:ASP93 2.1 19.2 1.0 CG A:ASP93 3.2 12.8 1.0 OD1 A:ASP93 3.9 7.7 1.0 O A:HOH408 4.2 24.8 1.0 O A:HOH306 4.2 10.2 1.0 CB A:ASP93 4.3 9.2 1.0 MG A:MG204 4.4 18.5 0.3 O A:GLN86 4.6 33.4 1.0 CB A:ALA87 4.9 30.9 1.0 O A:TYR92 4.9 27.5 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of C1QL3 Mutant D205A


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 C1QL3 Mutant D205A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:20.1 occ:0.33 O A:HOH378 2.1 31.0 1.0 OG A:SER96 2.8 14.9 0.1 O A:HOH364 2.9 32.0 1.0 O A:HOH311 3.1 10.4 1.0 CB A:SER96 3.8 13.1 0.8 CB A:SER96 3.9 13.5 0.1 OG A:SER96 4.0 17.3 0.8 ND1 A:HIS58 4.2 7.0 1.0 CE1 A:HIS58 4.3 3.9 1.0 O A:HOH329 4.9 15.8 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of C1QL3 Mutant D205A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of C1QL3 Mutant D205A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg204 b:18.5 occ:0.33 OD1 A:ASP93 2.1 7.7 1.0 O A:HOH302 2.7 14.1 1.0 CG A:ASP93 3.1 12.8 1.0 OD2 A:ASP93 3.5 19.2 1.0 N A:TYR94 4.2 1.8 1.0 CB A:ASP93 4.4 9.2 1.0 MG A:MG202 4.4 17.7 0.3 O A:TYR94 4.5 6.2 1.0 O A:HOH315 4.5 9.7 1.0 O A:HOH306 4.8 10.2 1.0 CA A:ASP93 4.8 16.9 1.0 O A:HOH364 4.8 32.0 1.0 CB A:TYR94 5.0 4.3 1.0

S.Ressl, B.K.Vu, S.Vivona, D.C.Martinelli, T.C.Sudhof, A.T.Brunger. Structures of C1Q-Like Proteins Reveal Unique Features Among the C1Q/Tnf Superfamily. Structure V. 23 688 2015.
ISSN: ISSN 0969-2126
PubMed: 25752542
DOI: 10.1016/J.STR.2015.01.019