Zinc in PDB 6moo: Co-Crystal Structure of P. Aeruginosa Lpxc-ACHN975 Complex

All present enzymatic activity of Co-Crystal Structure of P. Aeruginosa Lpxc-ACHN975 Complex:
3.5.1.108;

The structure of Co-Crystal Structure of P. Aeruginosa Lpxc-ACHN975 Complex, PDB code: 6moo was solved by A.J.Stein, Z.Assar, M.C.Holt, 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)	19.49 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.887, 66.860, 63.728, 90.00, 90.81, 90.00
R / Rfree (%)	17.6 / 23.9

The binding sites of Zinc atom in the Co-Crystal Structure of P. Aeruginosa Lpxc-ACHN975 Complex (pdb code 6moo). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Co-Crystal Structure of P. Aeruginosa Lpxc-ACHN975 Complex, PDB code: 6moo:

Zinc binding site 1 out of 1 in the Co-Crystal Structure of P. Aeruginosa Lpxc-ACHN975 Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Co-Crystal Structure of P. Aeruginosa Lpxc-ACHN975 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:20.9 occ:1.00 NE2 A:HIS78 2.0 17.2 1.0 OD1 A:ASP241 2.1 19.4 1.0 O04 A:A5F302 2.2 28.1 1.0 O2 A:A5F302 2.2 23.0 1.0 NE2 A:HIS237 2.2 15.8 1.0 C18 A:A5F302 2.8 26.9 1.0 CG A:ASP241 2.8 19.4 1.0 N7 A:A5F302 2.9 27.5 1.0 OD2 A:ASP241 2.9 20.5 1.0 CE1 A:HIS78 3.0 18.3 1.0 CD2 A:HIS78 3.1 17.7 1.0 CD2 A:HIS237 3.2 15.4 1.0 CE1 A:HIS237 3.2 16.1 1.0 OG1 A:THR190 4.0 16.4 1.0 ND1 A:HIS78 4.1 18.4 1.0 OE2 A:GLU77 4.2 24.1 1.0 CG A:HIS78 4.2 17.7 1.0 CB A:THR190 4.2 16.7 1.0 CG A:GLU77 4.2 22.8 1.0 ND1 A:HIS237 4.2 16.6 1.0 CG A:HIS237 4.3 15.5 1.0 C14 A:A5F302 4.3 26.6 1.0 CB A:ASP241 4.3 19.4 1.0 C17 A:A5F302 4.6 31.8 1.0 CD A:GLU77 4.7 25.2 1.0 C13 A:A5F302 4.8 29.2 1.0 CA A:ASP241 4.9 19.2 1.0 O A:HIS237 4.9 15.6 1.0 N5 A:A5F302 4.9 22.4 1.0 CE1 A:HIS264 4.9 24.0 1.0 CA A:THR190 4.9 16.8 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