Zinc in PDB 3gay: Structure of Giardia Fructose-1,6-Biphosphate Aldolase in Complex with Tagatose-1,6-Biphosphate

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

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

Resolution Low / High (Å)	20.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.310, 67.590, 171.730, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 24

The binding sites of Zinc atom in the Structure of Giardia Fructose-1,6-Biphosphate Aldolase in Complex with Tagatose-1,6-Biphosphate (pdb code 3gay). 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 Tagatose-1,6-Biphosphate, PDB code: 3gay:
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 Tagatose-1,6-Biphosphate


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 Tagatose-1,6-Biphosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn326 b:62.2 occ:1.00 NE2 A:HIS178 2.2 53.9 1.0 NE2 A:HIS84 2.2 36.4 1.0 ND1 A:HIS210 2.3 27.0 1.0 O3 A:P6T327 2.6 36.4 1.0 O2 A:P6T327 2.9 28.8 1.0 CE1 A:HIS178 2.9 53.7 1.0 O4 A:P6T327 3.1 55.4 1.0 CD2 A:HIS84 3.2 33.2 1.0 C3 A:P6T327 3.2 42.9 1.0 CE1 A:HIS210 3.2 30.1 1.0 C4 A:P6T327 3.2 53.5 1.0 CE1 A:HIS84 3.2 41.3 1.0 CG A:HIS210 3.3 21.6 1.0 CD2 A:HIS178 3.3 52.4 1.0 C2 A:P6T327 3.4 45.9 1.0 CB A:HIS210 3.6 23.5 1.0 ND1 A:HIS178 4.1 52.4 1.0 ND2 A:ASN253 4.2 22.9 1.0 OD2 A:ASP83 4.2 35.3 1.0 CD1 A:LEU139 4.3 33.8 1.0 CG A:HIS178 4.3 48.4 1.0 NE2 A:HIS210 4.3 27.0 1.0 ND1 A:HIS84 4.3 36.7 1.0 CG A:HIS84 4.3 33.3 1.0 CD2 A:HIS210 4.4 33.1 1.0 OD1 A:ASP83 4.4 35.1 1.0 CA A:HIS210 4.6 22.3 1.0 C5 A:P6T327 4.7 61.8 1.0 CG A:ASP83 4.7 28.2 1.0 N A:GLY211 4.8 21.7 1.0 C1 A:P6T327 4.8 43.6 1.0

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


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 Tagatose-1,6-Biphosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn328 b:58.4 occ:1.00 NE2 B:HIS178 2.1 37.3 1.0 NE2 B:HIS84 2.1 35.1 1.0 ND1 B:HIS210 2.2 32.2 1.0 O3 B:P6T329 2.4 32.5 1.0 O2 B:P6T329 2.8 27.4 1.0 CE1 B:HIS178 3.0 46.3 1.0 CE1 B:HIS84 3.0 29.0 1.0 CD2 B:HIS178 3.1 42.2 1.0 C3 B:P6T329 3.1 45.2 1.0 CE1 B:HIS210 3.2 36.9 1.0 CD2 B:HIS84 3.2 27.3 1.0 CG B:HIS210 3.3 24.6 1.0 O4 B:P6T329 3.3 52.6 1.0 C4 B:P6T329 3.3 55.8 1.0 C2 B:P6T329 3.3 34.0 1.0 CB B:HIS210 3.5 24.2 1.0 ND1 B:HIS178 4.1 50.1 1.0 ND2 B:ASN253 4.1 21.3 1.0 ND1 B:HIS84 4.2 32.2 1.0 CG B:HIS178 4.2 47.3 1.0 CG B:HIS84 4.3 32.1 1.0 CD1 B:LEU139 4.3 34.1 1.0 NE2 B:HIS210 4.3 27.2 1.0 OD2 B:ASP83 4.3 27.7 1.0 CD2 B:HIS210 4.4 30.9 1.0 OD1 B:ASP83 4.4 25.9 1.0 CA B:HIS210 4.5 20.5 1.0 N B:GLY211 4.7 22.5 1.0 C1 B:P6T329 4.7 45.1 1.0 CG B:ASP83 4.8 19.6 1.0 C5 B:P6T329 4.8 59.6 1.0

A.Galkin, Z.Li, L.Li, L.Kulakova, L.R.Pal, D.Dunaway-Mariano, O.Herzberg. Structural Insights Into the Substrate Binding and Stereoselectivity of Giardia Fructose-1,6-Bisphosphate Aldolase. Biochemistry V. 48 3186 2009.
ISSN: ISSN 0006-2960
PubMed: 19236002
DOI: 10.1021/BI9001166