Magnesium in PDB 3l9j: Selection of A Novel Highly Specific Tnfalpha Antagonist: Insight From the Crystal Structure of the Antagonist-Tnfalpha Complex

The structure of Selection of A Novel Highly Specific Tnfalpha Antagonist: Insight From the Crystal Structure of the Antagonist-Tnfalpha Complex, PDB code: 3l9j was solved by P.Byla, M.H.Andersen, H.C.Thogersen, H.H.Gad, R.Hartmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.95 / 2.10
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.905, 83.905, 149.172, 90.00, 90.00, 120.00
R / Rfree (%)	17.3 / 21.7

The binding sites of Magnesium atom in the Selection of A Novel Highly Specific Tnfalpha Antagonist: Insight From the Crystal Structure of the Antagonist-Tnfalpha Complex (pdb code 3l9j). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Selection of A Novel Highly Specific Tnfalpha Antagonist: Insight From the Crystal Structure of the Antagonist-Tnfalpha Complex, PDB code: 3l9j:

Magnesium binding site 1 out of 1 in the Selection of A Novel Highly Specific Tnfalpha Antagonist: Insight From the Crystal Structure of the Antagonist-Tnfalpha Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Selection of A Novel Highly Specific Tnfalpha Antagonist: Insight From the Crystal Structure of the Antagonist-Tnfalpha Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg497 b:46.4 occ:1.00 O C:HOH246 1.9 40.7 1.0 O C:HOH210 1.9 38.1 1.0 O C:HOH251 2.1 35.4 1.0 O C:HOH221 2.1 48.1 1.0 O C:HOH202 2.3 34.2 1.0 O C:HOH245 2.6 48.2 1.0 OD2 C:ASP141 4.0 25.7 1.0 O C:HOH15 4.1 42.5 1.0 OE1 C:GLU150 4.1 32.8 1.0 O C:GLY165 4.1 26.7 1.0 OD1 C:ASP141 4.2 26.3 1.0 OE2 C:GLU150 4.3 32.0 1.0 ND1 C:HIS138 4.4 34.0 1.0 CG C:ASP141 4.6 27.9 1.0 CD C:GLU150 4.6 28.8 1.0 N C:GLY165 4.7 26.6 1.0 CE1 C:HIS138 4.9 34.7 1.0 CD1 C:PHE164 4.9 30.8 1.0 C C:GLY165 5.0 26.1 1.0

P.Byla, M.H.Andersen, T.L.Holtet, H.Jacobsen, M.Munch, H.H.Gad, H.C.Thogersen, R.Hartmann. Selection of A Novel and Highly Specific Tnf{Alpha} Antagonist: Insight From the Crystal Structure of the Antagonist-Tnf{Alpha} Complex J.Biol.Chem. V. 285 12096 2010.
ISSN: ISSN 0021-9258
PubMed: 20179326
DOI: 10.1074/JBC.M109.063305