Zinc in PDB 3kao: Crystal Structure of Tagatose 1,6-Diphosphate Aldolase From Staphylococcus Aureus

All present enzymatic activity of Crystal Structure of Tagatose 1,6-Diphosphate Aldolase From Staphylococcus Aureus:
4.1.2.40;

The structure of Crystal Structure of Tagatose 1,6-Diphosphate Aldolase From Staphylococcus Aureus, PDB code: 3kao was solved by C.Chang, N.Marshall, G.Cobb, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	84.704, 84.704, 202.759, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 17.1

The binding sites of Zinc atom in the Crystal Structure of Tagatose 1,6-Diphosphate Aldolase From Staphylococcus Aureus (pdb code 3kao). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of Tagatose 1,6-Diphosphate Aldolase From Staphylococcus Aureus, PDB code: 3kao:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of Tagatose 1,6-Diphosphate Aldolase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Tagatose 1,6-Diphosphate Aldolase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn329 b:26.6 occ:1.00 O A:HOH385 1.8 21.6 1.0 O A:HOH386 1.9 12.3 1.0 O A:HOH387 2.1 18.1 1.0 NE2 A:HIS265 2.1 12.0 1.0 CD2 A:HIS265 3.0 13.2 1.0 CE1 A:HIS265 3.1 12.9 1.0 OE2 A:GLU266 4.0 21.6 1.0 O A:ASP317 4.1 15.5 1.0 CG A:HIS265 4.2 12.4 1.0 ND1 A:HIS265 4.2 11.2 1.0 O A:HOH399 4.2 35.9 1.0 O A:HOH513 4.4 28.1 1.0 CD A:GLU266 4.8 21.7 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of Tagatose 1,6-Diphosphate Aldolase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Tagatose 1,6-Diphosphate Aldolase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn330 b:37.9 occ:0.50 OE2 A:GLU290 2.0 28.4 1.0 ND1 A:HIS39 2.2 19.6 1.0 OE1 A:GLN286 2.6 24.0 1.0 CD A:GLU290 3.1 25.8 1.0 CE1 A:HIS39 3.1 19.2 1.0 CD A:GLN286 3.3 22.1 1.0 CG A:HIS39 3.3 18.5 1.0 CG A:GLN286 3.6 18.2 1.0 CB A:HIS39 3.6 18.6 1.0 OE1 A:GLU290 3.6 28.0 1.0 O A:HOH659 3.9 31.8 1.0 CA A:HIS39 4.0 17.9 1.0 NE2 A:HIS39 4.3 20.7 1.0 O A:LYS38 4.3 19.0 1.0 NE2 A:GLN286 4.3 21.1 1.0 CG A:GLU290 4.3 20.4 1.0 CD2 A:HIS39 4.4 20.1 1.0 O A:HOH735 4.4 48.5 1.0 CB A:GLN286 4.8 14.8 1.0 N A:HIS39 4.9 17.5 1.0 C A:LYS38 4.9 18.1 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of Tagatose 1,6-Diphosphate Aldolase From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Tagatose 1,6-Diphosphate Aldolase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn331 b:39.3 occ:0.50 OE2 A:GLU163 2.3 22.6 1.0 NZ A:LYS205 2.4 23.6 1.0 OE1 A:GLU163 2.6 23.0 1.0 CD A:GLU163 2.7 20.5 1.0 CE A:LYS205 3.2 21.1 1.0 O A:HOH383 3.5 40.3 1.0 O3 A:SO4328 4.2 31.1 1.0 CG A:GLU163 4.2 16.7 1.0 CD A:LYS205 4.3 19.0 1.0 CD1 A:LEU127 4.3 12.9 0.5 OD1 A:ASP27 4.4 26.4 1.0 NZ A:LYS125 4.4 17.6 1.0 OD2 A:ASP27 4.8 23.7 1.0 O4 A:SO4328 4.8 27.9 1.0 CB A:LEU248 4.9 17.1 1.0 CD2 A:LEU68 5.0 12.6 1.0

C.Chang, N.Marshall, G.Cobb, A.Joachimiak. Crystal Structure of Tagatose 1,6-Diphosphate Aldolase From Staphylococcus Aureus To Be Published.