Magnesium in PDB 6mo5: Co-Crystal Structure of P. Aeruginosa Lpxc-50228 Complex

All present enzymatic activity of Co-Crystal Structure of P. Aeruginosa Lpxc-50228 Complex:
3.5.1.108;

The structure of Co-Crystal Structure of P. Aeruginosa Lpxc-50228 Complex, PDB code: 6mo5 was solved by A.J.Stein, M.C.Holt, Z.Assar, F.Cohen, L.Andrews, R.Cirz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.24 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	36.101, 66.486, 63.565, 90.00, 90.59, 90.00
R / Rfree (%)	17.7 / 21.9

The binding sites of Magnesium atom in the Co-Crystal Structure of P. Aeruginosa Lpxc-50228 Complex (pdb code 6mo5). 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 Co-Crystal Structure of P. Aeruginosa Lpxc-50228 Complex, PDB code: 6mo5:

Magnesium binding site 1 out of 1 in the Co-Crystal Structure of P. Aeruginosa Lpxc-50228 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Co-Crystal Structure of P. Aeruginosa Lpxc-50228 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:11.7 occ:1.00 O22 A:JWP301 2.0 17.8 1.0 NE2 A:HIS78 2.1 14.2 1.0 OD1 A:ASP241 2.1 13.2 1.0 NE2 A:HIS237 2.1 13.2 1.0 O24 A:JWP301 2.2 17.7 1.0 OD2 A:ASP241 2.3 15.5 1.0 CG A:ASP241 2.5 15.0 1.0 C21 A:JWP301 2.7 15.4 1.0 N23 A:JWP301 2.8 19.9 1.0 CD2 A:HIS78 3.0 15.8 1.0 CE1 A:HIS237 3.0 11.3 1.0 CE1 A:HIS78 3.1 16.3 1.0 CD2 A:HIS237 3.1 11.3 1.0 H011 A:JWP301 3.7 24.0 1.0 H041 A:JWP301 3.8 24.1 1.0 CB A:ASP241 4.0 11.2 1.0 OG1 A:THR190 4.1 15.6 1.0 C04 A:JWP301 4.2 20.1 1.0 ND1 A:HIS237 4.2 13.5 1.0 ND1 A:HIS78 4.2 21.0 1.0 CG A:GLU77 4.2 14.4 1.0 CG A:HIS78 4.2 15.6 1.0 CG A:HIS237 4.2 13.7 1.0 CB A:THR190 4.4 15.9 1.0 OE2 A:GLU77 4.4 18.5 1.0 C01 A:JWP301 4.6 20.0 1.0 H031 A:JWP301 4.6 18.4 1.0 CE1 A:HIS264 4.7 25.3 1.0 NE2 A:HIS264 4.7 22.4 1.0 H012 A:JWP301 4.7 24.0 1.0 CA A:ASP241 4.8 12.8 1.0 C02 A:JWP301 4.8 17.6 1.0 CD A:GLU77 4.8 20.1 1.0 H033 A:JWP301 4.9 18.4 1.0 O A:HIS237 4.9 14.7 1.0 CA A:THR190 5.0 14.8 1.0

F.Cohen, J.B.Aggen, L.D.Andrews, Z.Assar, J.Boggs, T.Choi, P.Dozzo, A.N.Easterday, C.M.Haglund, D.J.Hildebrandt, M.C.Holt, K.Joly, A.Jubb, Z.Kamal, T.R.Kane, A.W.Konradi, K.M.Krause, M.S.Linsell, T.D.Machajewski, O.Miroshnikova, H.E.Moser, V.Nieto, T.Phan, C.Plato, A.W.Serio, J.Seroogy, A.Shakhmin, A.J.Stein, A.D.Sun, S.Sviridov, Z.Wang, K.Wlasichuk, W.Yang, X.Zhou, H.Zhu, R.T.Cirz. Optimization of Lpxc Inhibitors For Antibacterial Activity and Cardiovascular Safety. Chemmedchem V. 14 1560 2019.
ISSN: ESSN 1860-7187
PubMed: 31283109
DOI: 10.1002/CMDC.201900287