Zinc in PDB 3uhm: Udp-3-O-[3-Hydroxymyristoyl] N-Acetylglucosamine Deacetylase in Complex with Inhibitor

The structure of Udp-3-O-[3-Hydroxymyristoyl] N-Acetylglucosamine Deacetylase in Complex with Inhibitor, PDB code: 3uhm was solved by J.Montgomery, S.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.70 / 1.26
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.138, 80.965, 49.779, 90.00, 95.50, 90.00
R / Rfree (%)	18 / 20.1

The binding sites of Zinc atom in the Udp-3-O-[3-Hydroxymyristoyl] N-Acetylglucosamine Deacetylase in Complex with Inhibitor (pdb code 3uhm). 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 Udp-3-O-[3-Hydroxymyristoyl] N-Acetylglucosamine Deacetylase in Complex with Inhibitor, PDB code: 3uhm:

Zinc binding site 1 out of 1 in the Udp-3-O-[3-Hydroxymyristoyl] N-Acetylglucosamine Deacetylase in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Udp-3-O-[3-Hydroxymyristoyl] N-Acetylglucosamine Deacetylase in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn300 b:8.4 occ:1.00 OD1 A:ASP241 2.0 9.1 1.0 NE2 A:HIS237 2.1 7.1 1.0 NE2 A:HIS78 2.1 8.9 1.0 O4 A:RFN303 2.1 10.4 1.0 O5 A:RFN303 2.1 11.4 1.0 CG A:ASP241 2.7 8.0 1.0 OD2 A:ASP241 2.7 10.3 1.0 C15 A:RFN303 2.8 9.8 1.0 N2 A:RFN303 2.9 12.5 1.0 CD2 A:HIS78 3.0 9.0 1.0 CE1 A:HIS237 3.0 7.2 1.0 CD2 A:HIS237 3.1 7.9 1.0 CE1 A:HIS78 3.1 10.0 1.0 OG1 A:THR190 4.0 9.8 1.0 CB A:ASP241 4.2 7.4 1.0 ND1 A:HIS237 4.2 7.7 1.0 CG A:HIS237 4.2 7.3 1.0 CG A:HIS78 4.2 10.0 1.0 ND1 A:HIS78 4.2 10.5 1.0 CG A:GLU77 4.2 10.4 1.0 CB A:THR190 4.3 10.4 1.0 C14 A:RFN303 4.3 10.0 1.0 OE2 A:GLU77 4.4 11.8 1.0 CE1 A:HIS264 4.7 10.5 1.0 O3 A:RFN303 4.8 13.8 1.0 NE2 A:HIS264 4.8 10.6 1.0 C16 A:RFN303 4.8 18.3 1.0 CA A:THR190 4.8 7.8 1.0 CA A:ASP241 4.9 7.3 1.0 CD A:GLU77 4.9 10.5 1.0 O A:HIS237 4.9 7.8 1.0 S1 A:RFN303 5.0 13.1 1.0

J.I.Montgomery, M.F.Brown, U.Reilly, L.M.Price, J.A.Abramite, J.Arcari, R.Barham, Y.Che, J.M.Chen, S.W.Chung, E.M.Collantes, C.Desbonnet, M.Doroski, J.Doty, J.J.Engtrakul, T.M.Harris, M.Huband, J.D.Knafels, K.L.Leach, S.Liu, A.Marfat, L.Mcallister, E.Mcelroy, C.A.Menard, M.Mitton-Fry, L.Mullins, M.C.Noe, J.O'donnell, R.Oliver, J.Penzien, M.Plummer, V.Shanmugasundaram, C.Thoma, A.P.Tomaras, D.P.Uccello, A.Vaz, D.G.Wishka. Pyridone Methylsulfone Hydroxamate Lpxc Inhibitors For the Treatment of Serious Gram-Negative Infections. J.Med.Chem. V. 55 1662 2012.
ISSN: ISSN 0022-2623
PubMed: 22257165
DOI: 10.1021/JM2014875