Magnesium in PDB 6y1l: Crystal Structure of the Paraoxon-Modified A.17 Antibody Fab Fragment - L47R Mutant

The structure of Crystal Structure of the Paraoxon-Modified A.17 Antibody Fab Fragment - L47R Mutant, PDB code: 6y1l was solved by S.Chatziefthimiou, Y.Mokrushina, I.Smirnov, A.Gabibov, M.Wilmanns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.51 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.723, 66.750, 66.220, 90.00, 107.52, 90.00
R / Rfree (%)	17.1 / 20

The binding sites of Magnesium atom in the Crystal Structure of the Paraoxon-Modified A.17 Antibody Fab Fragment - L47R Mutant (pdb code 6y1l). 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 Crystal Structure of the Paraoxon-Modified A.17 Antibody Fab Fragment - L47R Mutant, PDB code: 6y1l:

Magnesium binding site 1 out of 1 in the Crystal Structure of the Paraoxon-Modified A.17 Antibody Fab Fragment - L47R 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 the Paraoxon-Modified A.17 Antibody Fab Fragment - L47R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg302 b:40.7 occ:1.00 O L:HOH465 2.0 36.8 1.0 O L:HOH406 2.0 35.6 1.0 O L:HOH462 2.1 38.7 1.0 O L:HOH516 2.1 42.0 1.0 O L:HOH640 2.1 39.6 1.0 O L:HOH636 2.1 44.7 1.0 OD2 L:ASP86 3.9 21.4 1.0 O H:HOH485 4.0 48.3 1.0 OD1 L:ASP86 4.2 22.2 1.0 OE1 L:GLU167 4.2 31.8 1.0 OE2 L:GLU167 4.2 39.6 1.0 O L:HOH553 4.4 31.8 1.0 CD L:LYS105 4.4 33.3 1.0 CG L:ASP86 4.5 18.7 1.0 CD L:GLU167 4.7 36.3 1.0 CE L:LYS105 5.0 48.3 1.0

Y.A.Mokrushina, A.V.Golovin, I.V.Smirnov, S.D.Chatziefthimiou, A.V.Stepanova, T.V.Bobik, A.O.Zalevsky, A.S.Zlobin, K.A.Konovalov, S.S.Terekhov, A.V.Stepanov, S.O.Pipiya, O.G.Shamborant, E.Round, A.A.Belogurov Jr., G.Bourenkov, A.A.Makarov, M.Wilmanns, J.Xie, G.M.Blackburn, A.G.Gabibov, R.A.Lerner. Multiscale Computation Delivers Organophosphorus Reactivity and Stereoselectivity to Immunoglobulin Scavengers. Proc.Natl.Acad.Sci.Usa V. 117 22841 2020.
ISSN: ESSN 1091-6490
PubMed: 32859757
DOI: 10.1073/PNAS.2010317117