Cadmium in PDB 4mbu: Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50

The structure of Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50, PDB code: 4mbu was solved by P.Srivastava, Y.Khandokar, J.K.Forwood, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.15 / 2.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.490, 78.860, 66.010, 90.00, 111.95, 90.00
R / Rfree (%)	18.5 / 22.3

The binding sites of Cadmium atom in the Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50 (pdb code 4mbu). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 8 binding sites of Cadmium where determined in the Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50, PDB code: 4mbu:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Cadmium binding site 1 out of 8 in the Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd201 b:31.3 occ:1.00 O A:HOH430 2.6 38.6 1.0 SG A:CYS4 2.8 20.0 1.0 O A:HOH425 3.0 33.1 1.0 O A:HOH370 3.2 20.5 1.0 CB A:CYS4 3.3 16.1 1.0 O A:HOH434 3.4 37.6 1.0 CD A:CD203 3.4 22.5 1.0 O A:HOH406 3.4 41.7 1.0 O A:HOH360 3.9 28.5 1.0 CA A:CYS4 4.8 19.4 1.0

Cadmium binding site 2 out of 8 in the Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd202 b:26.7 occ:1.00 O A:HOH367 2.4 20.8 1.0 OE2 A:GLU124 2.5 37.3 1.0 OE1 A:GLU124 2.9 34.4 1.0 CD A:GLU124 3.0 31.7 1.0 O A:HOH426 4.0 30.0 1.0 CG A:GLU124 4.5 25.9 1.0 O A:HOH420 5.0 31.1 1.0

Cadmium binding site 3 out of 8 in the Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd203 b:22.5 occ:1.00 SG A:CYS4 2.7 20.0 1.0 O A:HOH370 2.9 20.5 1.0 CB A:CYS4 3.4 16.1 1.0 CD A:CD201 3.4 31.3 1.0 O A:HOH406 3.9 41.7 1.0 N A:CYS4 4.0 19.1 1.0 CA A:CYS4 4.3 19.4 1.0 O A:HOH301 4.4 12.8 1.0

Cadmium binding site 4 out of 8 in the Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd204 b:4.1 occ:0.44 ND1 A:HIS137 2.5 3.9 1.0 O A:HOH368 3.0 6.9 1.0 O A:HOH369 3.0 12.4 1.0 CG A:HIS137 3.5 7.7 1.0 CE1 A:HIS137 3.5 6.7 1.0 CB A:HIS137 3.7 3.9 1.0 O1 A:PO4206 4.1 17.1 0.5 O2 A:PO4206 4.3 17.1 0.5 NE2 A:HIS137 4.6 11.1 1.0 OH A:TYR157 4.6 13.7 1.0 CD2 A:HIS137 4.6 3.9 1.0 P A:PO4206 4.9 14.1 0.5 O A:HOH315 4.9 13.5 1.0

Cadmium binding site 5 out of 8 in the Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd205 b:19.0 occ:0.56 O A:GLY118 2.5 17.5 1.0 O A:HOH328 2.5 14.7 1.0 O A:HOH336 2.9 24.8 1.0 C A:GLY118 3.6 14.9 1.0 N A:GLY118 4.0 12.5 1.0 CA A:GLY118 4.1 14.3 1.0 O A:HIS82 4.2 7.8 1.0 OE2 A:GLU81 4.3 23.1 1.0 CB A:SER83 4.5 19.1 1.0 N A:ILE119 4.7 13.6 1.0 O A:HOH436 4.8 42.9 1.0 CA A:SER83 4.9 13.3 1.0 O A:ALA26 4.9 20.5 1.0 CA A:ILE119 5.0 5.0 1.0

Cadmium binding site 6 out of 8 in the Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd201 b:29.3 occ:0.79 O B:HOH329 2.6 23.0 1.0 O B:HOH390 2.7 36.5 1.0 O B:HOH406 2.8 30.6 1.0 SG B:CYS4 2.8 24.2 1.0 O B:HOH332 3.1 20.5 1.0 CB B:CYS4 3.3 15.8 1.0 O B:HOH389 3.3 29.6 1.0 CD B:CD202 3.4 28.4 1.0 O B:HOH342 4.4 29.4 1.0 CA B:CYS4 4.8 20.0 1.0 O B:HOH375 5.0 22.9 1.0

Cadmium binding site 7 out of 8 in the Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 7 of Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd202 b:28.4 occ:1.00 O B:HOH375 2.8 22.9 1.0 SG B:CYS4 2.8 24.2 1.0 O B:HOH332 2.9 20.5 1.0 CB B:CYS4 3.4 15.8 1.0 CD B:CD201 3.4 29.3 0.8 N B:CYS4 4.1 18.7 1.0 CA B:CYS4 4.4 20.0 1.0

Cadmium binding site 8 out of 8 in the Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 8 of Crystal Structure of N-Acetyltransferase From Staphylococcus Aureus MU50 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd203 b:28.7 occ:0.53 O B:HOH336 2.4 17.9 1.0 O B:GLY118 2.5 16.5 1.0 O B:HOH367 2.8 30.4 1.0 O B:HOH380 3.1 27.4 1.0 C B:GLY118 3.6 14.0 1.0 N B:GLY118 4.0 14.0 1.0 CA B:GLY118 4.1 8.9 1.0 OG B:SER83 4.2 25.5 1.0 O B:HIS82 4.3 12.1 1.0 OE2 B:GLU81 4.4 19.8 1.0 N B:ILE119 4.7 11.4 1.0 O B:ALA26 4.9 21.1 1.0 CA B:ILE119 5.0 10.3 1.0

P.Srivastava, Y.Khandokar, J.K.Forwood. Expression,Purification and X-Ray Crystallography of N-Acetyltransferase From Staphylococcus Aureus MU50 To Be Published.