Cadmium in PDB 1lrq: Aquifex Aeolicus KDO8P Synthase H185G Mutant in Complex with Pep, A5P and Cadmium

All present enzymatic activity of Aquifex Aeolicus KDO8P Synthase H185G Mutant in Complex with Pep, A5P and Cadmium:
4.1.2.16;

The structure of Aquifex Aeolicus KDO8P Synthase H185G Mutant in Complex with Pep, A5P and Cadmium, PDB code: 1lrq was solved by J.Wang, H.S.Duewel, J.A.Stuckey, R.W.Woodard, D.L.Gatti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.29 / 1.80
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	84.471, 84.471, 160.481, 90.00, 90.00, 120.00
R / Rfree (%)	20.7 / 22.8

The binding sites of Cadmium atom in the Aquifex Aeolicus KDO8P Synthase H185G Mutant in Complex with Pep, A5P and Cadmium (pdb code 1lrq). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Aquifex Aeolicus KDO8P Synthase H185G Mutant in Complex with Pep, A5P and Cadmium, PDB code: 1lrq:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Aquifex Aeolicus KDO8P Synthase H185G Mutant in Complex with Pep, A5P and Cadmium


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Aquifex Aeolicus KDO8P Synthase H185G Mutant in Complex with Pep, A5P and Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1270 b:26.4 occ:0.50 OD2 A:ASP1233 2.0 45.4 1.0 OE1 A:GLU1222 2.1 30.8 1.0 O1 A:PEP1268 2.2 45.9 1.0 SG A:CYS1011 2.4 33.3 1.0 CD A:GLU1222 2.8 33.5 1.0 OE2 A:GLU1222 2.8 34.4 1.0 O2' A:PEP1268 2.9 47.0 1.0 C1 A:PEP1268 2.9 44.2 1.0 CG A:ASP1233 3.1 44.3 1.0 CB A:CYS1011 3.4 32.0 1.0 CB A:ASP1233 3.8 40.5 1.0 O3 A:A5P1269 3.9 64.1 1.0 O A:HOH254 3.9 43.1 1.0 NZ A:LYS1046 4.0 27.2 1.0 OD1 A:ASP1233 4.1 47.9 1.0 CG A:GLU1222 4.2 32.8 1.0 CA A:CYS1011 4.3 30.2 1.0 O A:HOH132 4.4 43.7 1.0 C2 A:PEP1268 4.4 42.3 1.0 O2 A:A5P1269 4.6 64.9 1.0 CE A:LYS1046 4.7 30.5 1.0 O A:HOH68 4.7 28.5 1.0 C3 A:A5P1269 4.8 62.9 1.0 NZ A:LYS1041 4.9 27.2 1.0 CB A:GLU1222 4.9 29.0 1.0 C4 A:A5P1269 5.0 60.6 1.0 O A:HOH83 5.0 30.6 1.0

Cadmium binding site 2 out of 2 in the Aquifex Aeolicus KDO8P Synthase H185G Mutant in Complex with Pep, A5P and Cadmium


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Aquifex Aeolicus KDO8P Synthase H185G Mutant in Complex with Pep, A5P and Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd2270 b:30.0 occ:0.50 OD2 B:ASP2233 1.9 41.9 1.0 OE1 B:GLU2222 2.1 38.5 1.0 SG B:CYS2011 2.5 33.8 1.0 O B:HOH247 2.5 54.8 1.0 OE2 B:GLU2222 2.6 39.4 1.0 CD B:GLU2222 2.7 38.0 1.0 CG B:ASP2233 3.0 45.8 1.0 CB B:CYS2011 3.5 34.8 1.0 CB B:ASP2233 3.8 42.9 1.0 OD1 B:ASP2233 3.9 46.2 1.0 O B:HOH220 3.9 44.3 1.0 NZ B:LYS2046 4.0 31.9 1.0 O B:HOH172 4.1 43.7 1.0 CG B:GLU2222 4.2 36.5 1.0 CA B:CYS2011 4.3 33.4 1.0 O B:HOH130 4.5 35.3 1.0 O B:HOH107 4.7 36.7 1.0 CE B:LYS2046 4.7 32.0 1.0 NZ B:LYS2041 4.8 29.5 1.0 CB B:GLU2222 4.9 34.5 1.0

J.Wang, H.S.Duewel, J.A.Stuckey, R.W.Woodard, D.L.Gatti. Function of HIS185 in Aquifex Aeolicus 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Synthase J.Mol.Biol. V. 324 205 2002.
ISSN: ISSN 0022-2836
PubMed: 12441100
DOI: 10.1016/S0022-2836(02)01096-3