Cadmium in PDB 6utq: Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium

The structure of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium, PDB code: 6utq was solved by M.Fellner, K.Huizenga, R.P.Hausinger, J.Hu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.88 / 2.39
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	107.775, 107.775, 319.633, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 25.4

The binding sites of Cadmium atom in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium (pdb code 6utq). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 7 binding sites of Cadmium where determined in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium, PDB code: 6utq:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7;

Cadmium binding site 1 out of 7 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd301 b:58.6 occ:0.76 OD2 A:ASP231 2.0 46.0 1.0 OD1 C:ASP231 2.2 51.5 1.0 OD2 B:ASP231 2.3 57.7 1.0 O B:HOH441 2.5 39.7 0.8 OD1 B:ASP231 2.5 48.0 1.0 OD2 C:ASP231 2.5 47.9 1.0 CG C:ASP231 2.7 49.9 1.0 CG B:ASP231 2.7 54.5 1.0 CG A:ASP231 2.8 49.1 1.0 OD1 A:ASP231 2.8 59.3 1.0 CB C:ASP231 4.2 51.9 1.0 CB A:ASP231 4.2 46.9 1.0 CB B:ASP231 4.2 56.5 1.0 O C:HOH408 4.2 54.7 1.0 O B:ALA227 4.6 54.1 1.0 O C:ALA227 4.7 60.0 1.0 NE C:ARG228 4.8 47.4 1.0 N A:ASP231 4.9 53.7 1.0 CA A:ASP231 4.9 50.0 1.0 O A:ALA227 4.9 51.7 1.0 CA C:ASP231 4.9 51.1 1.0 N C:ASP231 5.0 54.9 1.0

Cadmium binding site 2 out of 7 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd302 b:98.2 occ:0.87 O A:HOH421 2.3 76.1 0.9 NE2 A:HIS190 2.4 81.0 1.0 O A:HOH422 2.5 76.6 0.9 O A:HOH425 2.5 73.1 0.9 O A:HOH416 2.6 71.3 0.9 O A:HOH426 2.7 60.8 0.9 CD2 A:HIS190 3.2 76.3 1.0 CE1 A:HIS190 3.6 82.0 1.0 O2 A:SO4304 3.9 80.4 0.7 OD2 A:ASP82 4.3 78.3 1.0 CG A:HIS190 4.4 79.7 1.0 OD1 A:ASP82 4.4 74.8 1.0 ND1 A:HIS190 4.6 84.0 1.0 O4 A:SO4304 4.7 71.3 0.7 CG A:ASP82 4.8 77.1 1.0 S A:SO4304 4.9 73.3 0.7 CB A:LEU84 5.0 68.1 1.0

Cadmium binding site 3 out of 7 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd301 b:0.8 occ:0.79 O B:HOH402 2.4 67.4 0.8 O B:HOH405 2.5 77.1 0.8 NE2 B:HIS88 2.5 74.3 1.0 O B:HOH446 2.5 77.6 0.8 O B:HOH445 2.5 86.3 0.8 O B:HOH437 2.5 74.2 0.8 CD2 B:HIS88 3.2 60.7 1.0 CE1 B:HIS88 3.6 66.7 1.0 OD2 B:ASP95 3.9 85.2 1.0 OH B:TYR99 4.1 65.5 1.0 CG B:HIS88 4.5 62.9 1.0 ND1 B:HIS88 4.6 66.0 1.0 CZ B:TYR99 4.9 57.7 1.0

Cadmium binding site 4 out of 7 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd302 b:78.2 occ:0.45 OD2 B:ASP218 2.3 70.6 1.0 O D:HOH403 2.6 56.3 0.5 O B:HOH443 2.6 52.6 0.5 CG B:ASP218 3.2 60.0 1.0 ND1 D:HIS216 3.2 59.7 1.0 CE1 D:HIS216 3.2 61.9 1.0 OD1 B:ASP218 3.3 58.9 1.0 CE1 B:TYR250 4.1 59.6 1.0 CG D:HIS216 4.4 59.0 1.0 NE2 D:HIS216 4.5 53.9 1.0 CD1 B:TYR250 4.5 56.1 1.0 CB B:ASP218 4.5 54.9 1.0 CD1 B:ILE219 4.8 51.5 1.0 CG1 B:ILE219 4.9 48.1 1.0

Cadmium binding site 5 out of 7 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ C:Cd301 b:0.7 occ:0.74 NE2 C:HIS190 2.4 87.0 1.0 O C:HOH415 2.4 79.3 0.7 O C:HOH425 2.5 77.7 0.7 O C:HOH430 2.5 94.0 0.7 O C:HOH428 2.6 80.2 0.7 O C:HOH426 2.6 84.6 0.7 CE1 C:HIS190 3.1 79.7 1.0 CD2 C:HIS190 3.5 79.9 1.0 ND1 C:HIS190 4.3 78.8 1.0 CG C:HIS190 4.5 76.5 1.0 OD2 C:ASP82 4.6 76.5 1.0

Cadmium binding site 6 out of 7 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ D:Cd301 b:61.6 occ:0.72 OD2 E:ASP231 2.2 56.3 1.0 OD1 D:ASP231 2.3 55.9 1.0 OD1 F:ASP231 2.4 56.9 1.0 OD1 E:ASP231 2.4 54.5 1.0 O D:HOH429 2.4 50.5 0.7 OD2 D:ASP231 2.5 57.3 1.0 CG E:ASP231 2.6 53.1 1.0 OD2 F:ASP231 2.6 60.1 1.0 CG D:ASP231 2.7 53.2 1.0 CG F:ASP231 2.8 59.3 1.0 O E:HOH403 3.7 49.1 1.0 O D:HOH404 3.9 59.6 1.0 O F:HOH402 4.0 55.5 1.0 CB E:ASP231 4.1 50.4 1.0 O F:HOH407 4.2 59.6 1.0 CB D:ASP231 4.2 50.9 1.0 CB F:ASP231 4.3 60.7 1.0 O D:ALA227 4.6 52.4 1.0 O E:ALA227 4.8 56.6 1.0 CA E:ASP231 4.9 48.6 1.0 N E:ASP231 4.9 55.5 1.0 O F:ALA227 4.9 48.8 1.0 N F:ASP231 4.9 55.6 1.0 CA F:ASP231 5.0 59.0 1.0 CA D:ASP231 5.0 52.9 1.0 N D:ASP231 5.0 54.2 1.0

Cadmium binding site 7 out of 7 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 7 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ D:Cd302 b:0.0 occ:0.89 O D:HOH437 2.4 73.8 0.9 O D:HOH433 2.5 72.4 0.9 O D:HOH430 2.6 85.5 0.9 O D:HOH436 2.6 71.4 0.9 NE2 D:HIS88 2.6 80.6 1.0 CD2 D:HIS88 3.3 74.0 1.0 CE1 D:HIS88 3.8 79.7 1.0 CG D:HIS88 4.6 78.0 1.0 ND1 D:HIS88 4.8 79.6 1.0 CE1 D:TYR99 4.8 78.0 1.0

M.Fellner, M.Fellner, K.Huizenga, R.P.Hausinger, J.Hu. N/A N/A.