Zinc in PDB 3ohi: Structure of Giardia Fructose-1,6-Biphosphate Aldolase in Complex with 3-Hydroxy-2-Pyridone

All present enzymatic activity of Structure of Giardia Fructose-1,6-Biphosphate Aldolase in Complex with 3-Hydroxy-2-Pyridone:
4.1.2.13;

The structure of Structure of Giardia Fructose-1,6-Biphosphate Aldolase in Complex with 3-Hydroxy-2-Pyridone, PDB code: 3ohi was solved by O.Herzberg, A.Galkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.580, 64.950, 171.450, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 27.4

The binding sites of Zinc atom in the Structure of Giardia Fructose-1,6-Biphosphate Aldolase in Complex with 3-Hydroxy-2-Pyridone (pdb code 3ohi). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Giardia Fructose-1,6-Biphosphate Aldolase in Complex with 3-Hydroxy-2-Pyridone, PDB code: 3ohi:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of Giardia Fructose-1,6-Biphosphate Aldolase in Complex with 3-Hydroxy-2-Pyridone


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Giardia Fructose-1,6-Biphosphate Aldolase in Complex with 3-Hydroxy-2-Pyridone within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn340 b:70.3 occ:1.00 NE2 A:HIS84 2.2 37.5 1.0 NE2 A:HIS178 2.2 33.8 1.0 ND1 A:HIS210 2.6 25.4 1.0 OAD A:HDX341 2.6 59.3 1.0 CE1 A:HIS178 2.8 32.2 1.0 CE1 A:HIS84 2.9 41.7 1.0 OAA A:HDX341 2.9 60.9 1.0 CAQ A:HDX341 3.0 61.0 1.0 CAO A:HDX341 3.2 60.6 1.0 CD2 A:HIS84 3.4 39.3 1.0 CD2 A:HIS178 3.4 33.1 1.0 CG A:HIS210 3.4 23.3 1.0 CB A:HIS210 3.5 21.5 1.0 CE1 A:HIS210 3.6 22.8 1.0 ND1 A:HIS178 4.0 33.5 1.0 CD1 A:LEU139 4.1 26.9 1.0 ND1 A:HIS84 4.1 40.4 1.0 CAP A:HDX341 4.1 59.9 1.0 CG A:HIS178 4.3 30.1 1.0 NAR A:HDX341 4.4 57.7 1.0 CG A:HIS84 4.4 40.0 1.0 CA A:HIS210 4.4 25.2 1.0 OD1 A:ASP83 4.5 31.0 1.0 N A:GLY211 4.6 27.0 1.0 OD2 A:ASP83 4.6 34.8 1.0 CD2 A:HIS210 4.6 20.8 1.0 ND2 A:ASN253 4.6 18.9 1.0 NE2 A:HIS210 4.7 23.1 1.0 O A:HOH365 4.7 38.9 1.0 CAL A:HDX341 4.8 62.6 1.0 C A:HIS210 5.0 21.8 1.0

Zinc binding site 2 out of 2 in the Structure of Giardia Fructose-1,6-Biphosphate Aldolase in Complex with 3-Hydroxy-2-Pyridone


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Giardia Fructose-1,6-Biphosphate Aldolase in Complex with 3-Hydroxy-2-Pyridone within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn342 b:66.5 occ:1.00 NE2 B:HIS178 2.4 43.9 1.0 NE2 B:HIS84 2.6 43.7 1.0 OAA B:HDX343 2.7 48.4 1.0 ND1 B:HIS210 2.8 26.4 1.0 OAD B:HDX343 2.9 47.6 1.0 CAO B:HDX343 2.9 49.1 1.0 CAQ B:HDX343 3.0 50.5 1.0 CD2 B:HIS178 3.1 43.6 1.0 CB B:HIS210 3.3 27.6 1.0 CG B:HIS210 3.4 25.8 1.0 CE1 B:HIS178 3.5 44.5 1.0 CE1 B:HIS84 3.6 45.4 1.0 CD2 B:HIS84 3.6 44.0 1.0 CE1 B:HIS210 3.8 31.7 1.0 NAR B:HDX343 3.8 47.7 1.0 N B:GLY211 3.8 33.7 1.0 ND2 B:ASN253 3.9 22.2 1.0 CAP B:HDX343 4.0 49.6 1.0 CA B:HIS210 4.0 27.4 1.0 CG B:HIS178 4.3 44.8 1.0 CAM B:HDX343 4.4 42.8 1.0 OD2 B:ASP83 4.4 26.5 1.0 C B:HIS210 4.5 29.1 1.0 ND1 B:HIS178 4.5 44.4 1.0 CD1 B:LEU139 4.5 38.3 1.0 CD2 B:HIS210 4.5 28.7 1.0 CB B:ASN253 4.6 15.2 1.0 CAJ B:HDX343 4.6 48.0 1.0 CAI B:HDX343 4.7 48.4 1.0 NE2 B:HIS210 4.7 31.1 1.0 OD1 B:ASP83 4.7 24.5 1.0 ND1 B:HIS84 4.7 44.2 1.0 CG B:HIS84 4.8 41.3 1.0 CG B:ASN253 4.8 16.1 1.0 CA B:GLY211 4.8 31.4 1.0 CAL B:HDX343 4.8 48.8 1.0

Z.Li, Z.Liu, D.W.Cho, J.Zou, M.Gong, R.M.Breece, A.Galkin, L.Li, H.Zhao, G.D.Maestas, D.L.Tierney, O.Herzberg, D.Dunaway-Mariano, P.S.Mariano. Rational Design, Synthesis and Evaluation of First Generation Inhibitors of the Giardia Lamblia Fructose-1,6-Biphosphate Aldolase. J.Inorg.Biochem. V. 105 509 2010.
ISSN: ISSN 0162-0134
PubMed: 21333622
DOI: 10.1016/J.JINORGBIO.2010.12.012