Manganese in PDB 1kz8: Crystal Structure of Porcine Fructose-1,6-Bisphosphatase Complexed with A Novel Allosteric-Site Inhibitor

All present enzymatic activity of Crystal Structure of Porcine Fructose-1,6-Bisphosphatase Complexed with A Novel Allosteric-Site Inhibitor:
3.1.3.11;

The structure of Crystal Structure of Porcine Fructose-1,6-Bisphosphatase Complexed with A Novel Allosteric-Site Inhibitor, PDB code: 1kz8 was solved by S.W.Wright, A.A.Carlo, M.D.Carty, D.E.Danley, D.L.Hageman, G.A.Karam, C.B.Levy, M.N.Mansour, A.M.Mathiowetz, L.D.Mcclure, N.B.Nestor, R.K.Mcpherson, J.Pandit, L.R.Pustilnik, G.K.Schulte, W.C.Soeller, J.L.Treadway, I.-K.Wang, P.H.Bauer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	59.650, 165.940, 79.223, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 21.4

The binding sites of Manganese atom in the Crystal Structure of Porcine Fructose-1,6-Bisphosphatase Complexed with A Novel Allosteric-Site Inhibitor (pdb code 1kz8). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Porcine Fructose-1,6-Bisphosphatase Complexed with A Novel Allosteric-Site Inhibitor, PDB code: 1kz8:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Porcine Fructose-1,6-Bisphosphatase Complexed with A Novel Allosteric-Site Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Porcine Fructose-1,6-Bisphosphatase Complexed with A Novel Allosteric-Site Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn739 b:73.7 occ:1.00 O A:HOH894 2.9 38.4 1.0 OD2 A:ASP118 3.1 37.2 1.0 OD1 A:ASP118 3.1 30.3 1.0 O A:HOH987 3.1 49.2 1.0 CG A:ASP118 3.5 24.6 1.0 CD A:GLU97 3.7 37.8 1.0 O A:LEU120 3.7 22.4 1.0 OE2 A:GLU97 3.8 36.1 1.0 CG A:GLU97 4.0 31.3 1.0 OE1 A:GLU97 4.0 38.6 1.0 CA A:ASP121 4.0 25.2 1.0 O A:HOH935 4.3 35.6 1.0 C A:LEU120 4.3 22.4 1.0 O1 A:F6P736 4.4 38.2 1.0 N A:GLY122 4.4 29.1 1.0 N A:ASP121 4.4 23.1 1.0 OE2 A:GLU280 4.7 26.6 1.0 C A:ASP121 4.7 27.0 1.0 CB A:SER123 4.8 51.3 1.0 N A:SER123 4.8 44.0 1.0 CB A:GLU97 4.9 27.8 1.0 C1 A:F6P736 4.9 34.2 1.0 OG A:SER123 5.0 52.1 1.0 CB A:ASP118 5.0 19.6 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Porcine Fructose-1,6-Bisphosphatase Complexed with A Novel Allosteric-Site Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Porcine Fructose-1,6-Bisphosphatase Complexed with A Novel Allosteric-Site Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ F:Mn839 b:88.4 occ:1.00 OE2 F:GLU280 2.5 28.6 1.0 OD2 F:ASP118 2.5 33.3 1.0 OD1 F:ASP121 2.6 22.8 1.0 CB F:ASP121 2.9 23.1 1.0 CG F:GLU280 3.0 21.0 1.0 CG F:ASP118 3.1 21.5 1.0 CD F:GLU280 3.2 26.2 1.0 CG F:ASP121 3.2 31.2 1.0 CB F:ASP118 3.3 21.1 1.0 CD1 F:ILE135 3.5 18.3 1.0 CA F:ASP121 3.5 25.2 1.0 O1 F:F6P836 4.0 38.9 1.0 OD1 F:ASP118 4.2 25.8 1.0 O F:HOH919 4.4 36.7 1.0 N F:ASP121 4.4 23.3 1.0 OE1 F:GLU280 4.4 20.5 1.0 CB F:GLU280 4.4 15.9 1.0 OD2 F:ASP121 4.4 33.7 1.0 O F:HOH1087 4.4 54.1 1.0 CG1 F:ILE135 4.5 18.7 1.0 O F:TYR279 4.6 18.4 1.0 O F:HOH945 4.6 43.9 1.0 C F:ASP121 4.7 26.4 1.0 CA F:ASP118 4.8 19.2 1.0 N F:GLY122 4.9 28.5 1.0 CB F:ILE135 4.9 17.6 1.0 CA F:GLU280 5.0 18.0 1.0 O3 F:F6P836 5.0 26.6 1.0

S.W.Wright, A.A.Carlo, M.D.Carty, D.E.Danley, D.L.Hageman, G.A.Karam, C.B.Levy, M.N.Mansour, A.M.Mathiowetz, L.D.Mcclure, N.B.Nestor, R.K.Mcpherson, J.Pandit, L.R.Pustilnik, G.K.Schulte, W.C.Soeller, J.L.Treadway, I.-K.Wang, P.H.Bauer. Anilinoquinazoline Inhibitors of Fructose 1,6-Bisphosphatase Bind at A Novel Allosteric Site: Synthesis, in Vitro Characterization, and X-Ray Crystallography J.Med.Chem. V. 45 3865 2002.
ISSN: ISSN 0022-2623
PubMed: 12190310
DOI: 10.1021/JM010496A