Magnesium in PDB 4kgg: Crystal Structure of Light MUTANT2 and DCR3 Complex

The structure of Crystal Structure of Light MUTANT2 and DCR3 Complex, PDB code: 4kgg was solved by W.Liu, J.B.Bonanno, C.Zhan, P.R.Kumar, R.Toro, S.G.Nathenson, S.C.Almo, Atoms-To-Animals: The Immune Function Network (Ifn), New Yorkstructural Genomics Research Consortium (Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.63 / 2.78
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	148.754, 148.754, 148.754, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 23.5

The binding sites of Magnesium atom in the Crystal Structure of Light MUTANT2 and DCR3 Complex (pdb code 4kgg). 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 Light MUTANT2 and DCR3 Complex, PDB code: 4kgg:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Light MUTANT2 and DCR3 Complex


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 Light MUTANT2 and DCR3 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:46.3 occ:1.00 O C:HOH401 2.3 47.5 1.0 O C:ALA136 2.3 30.5 1.0 O C:SER161 2.4 56.1 1.0 OG C:SER159 2.5 34.9 1.0 O C:PRO133 2.7 47.8 1.0 O C:CYS132 3.0 40.6 1.0 CB C:SER159 3.4 32.9 1.0 C C:PRO133 3.4 53.0 1.0 C C:ALA136 3.6 32.9 1.0 C C:SER161 3.7 53.0 1.0 C C:CYS132 3.7 50.8 1.0 OE1 C:GLU166 3.8 57.1 1.0 CB C:CYS132 4.0 60.4 1.0 N C:PRO134 4.0 51.4 1.0 CA C:PRO134 4.2 43.9 1.0 N C:ALA136 4.3 36.7 1.0 N C:SER163 4.3 49.3 1.0 N C:PRO133 4.3 46.5 1.0 CA C:PRO133 4.4 51.1 1.0 N C:GLY137 4.4 31.5 1.0 N C:SER161 4.4 49.2 1.0 CA C:CYS132 4.5 57.8 1.0 CA C:GLY137 4.5 34.5 1.0 CA C:ALA136 4.5 36.1 1.0 O C:GLU166 4.5 39.0 1.0 N C:SER162 4.6 57.7 1.0 CA C:SER162 4.6 54.6 1.0 CA C:SER161 4.6 48.7 1.0 CA C:SER159 4.6 31.4 1.0 C C:SER159 4.7 34.6 1.0 O C:SER163 4.7 42.9 1.0 C C:PRO134 4.8 38.0 1.0 O C:SER159 4.8 37.4 1.0 N C:GLY135 4.8 36.9 1.0 CD C:GLU166 4.8 64.4 1.0 C C:SER162 4.9 48.5 1.0 CB C:SER163 4.9 45.2 1.0 CB C:ALA136 4.9 40.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Light MUTANT2 and DCR3 Complex


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 Light MUTANT2 and DCR3 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg301 b:53.5 occ:1.00 O D:ALA136 2.1 48.8 1.0 OG D:SER159 2.4 50.4 1.0 O D:SER161 2.5 69.0 1.0 O D:PRO133 2.6 62.4 1.0 O D:HOH403 2.7 45.5 1.0 O D:CYS132 2.8 60.5 1.0 C D:PRO133 3.3 70.0 1.0 C D:ALA136 3.4 55.4 1.0 CB D:SER159 3.4 47.9 1.0 C D:CYS132 3.6 71.6 1.0 C D:SER161 3.6 66.9 1.0 CA D:PRO134 3.9 70.2 1.0 N D:PRO134 4.0 77.3 1.0 OE1 D:GLU166 4.0 72.7 1.0 CB D:CYS132 4.0 90.2 1.0 N D:ALA136 4.1 57.4 1.0 N D:PRO133 4.2 70.3 1.0 CA D:PRO133 4.3 69.5 1.0 CA D:ALA136 4.3 57.3 1.0 N D:GLY137 4.3 52.5 1.0 CA D:GLY137 4.4 55.8 1.0 N D:SER161 4.4 62.7 1.0 N D:SER162 4.4 74.1 1.0 CA D:CYS132 4.4 83.8 1.0 O D:SER159 4.5 50.5 1.0 C D:PRO134 4.5 61.8 1.0 C D:SER159 4.6 49.0 1.0 N D:GLY135 4.6 56.4 1.0 CA D:SER159 4.6 50.4 1.0 CA D:SER161 4.6 62.5 1.0 CA D:SER162 4.6 72.4 1.0 N D:SER163 4.6 71.4 1.0 O D:GLU166 4.8 65.3 1.0 CB D:ALA136 4.9 55.8 1.0

W.Liu, C.Zhan, H.Cheng, P.R.Kumar, J.B.Bonanno, S.G.Nathenson, S.C.Almo. Mechanistic Basis For Functional Promiscuity in the Tnf and Tnf Receptor Superfamilies: Structure of the Light:DCR3 Assembly. Structure V. 22 1252 2014.
ISSN: ISSN 0969-2126
PubMed: 25087510
DOI: 10.1016/J.STR.2014.06.013