Cadmium in PDB 1xwb: Drospohila Thioredoxin, Oxidized, P42212

The structure of Drospohila Thioredoxin, Oxidized, P42212, PDB code: 1xwb was solved by M.C.Wahl, A.Irmler, B.Hecker, R.H.Schirmer, K.Becker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.20
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	99.465, 99.465, 87.780, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 28.8

The binding sites of Cadmium atom in the Drospohila Thioredoxin, Oxidized, P42212 (pdb code 1xwb). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 3 binding sites of Cadmium where determined in the Drospohila Thioredoxin, Oxidized, P42212, PDB code: 1xwb:
Jump to Cadmium binding site number: 1; 2; 3;

Cadmium binding site 1 out of 3 in the Drospohila Thioredoxin, Oxidized, P42212


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Drospohila Thioredoxin, Oxidized, P42212 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd801 b:57.4 occ:1.00 OG1 A:THR30 2.3 23.1 1.0 O A:HOH854 2.4 51.4 1.0 O A:HOH830 2.6 32.9 1.0 OD2 A:ASP61 3.6 21.0 1.0 CB A:THR30 3.6 20.5 1.0 CG2 A:THR30 3.9 19.1 1.0 CB A:ASP61 4.2 17.5 1.0 OD2 A:ASP59 4.3 18.5 1.0 N A:THR30 4.3 18.3 1.0 CG A:ASP61 4.3 22.0 1.0 OD1 A:ASP59 4.5 12.1 1.0 CA A:THR30 4.6 15.8 1.0 CD1 A:TRP31 4.8 2.5 1.0 CG A:ASP59 4.9 18.9 1.0

Cadmium binding site 2 out of 3 in the Drospohila Thioredoxin, Oxidized, P42212


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Drospohila Thioredoxin, Oxidized, P42212 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd802 b:34.5 occ:1.00 O B:HOH845 1.8 24.8 1.0 OE1 B:GLU88 2.2 15.4 1.0 CD B:GLU88 3.2 13.2 1.0 OE2 B:GLU88 3.5 15.4 1.0 O B:GLU89 3.8 11.7 1.0 NH1 B:ARG97 4.2 16.8 1.0 N B:GLU89 4.4 11.6 1.0 CG B:GLU88 4.5 15.9 1.0 C B:GLU89 4.8 12.1 1.0 CA B:GLU88 5.0 11.9 1.0

Cadmium binding site 3 out of 3 in the Drospohila Thioredoxin, Oxidized, P42212


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Drospohila Thioredoxin, Oxidized, P42212 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cd803 b:65.5 occ:0.50 OE1 D:GLN48 1.9 32.1 1.0 OE1 D:GLU99 2.7 24.1 1.0 CD D:GLN48 3.0 39.3 1.0 CD D:GLU99 3.7 24.6 1.0 CZ D:PHE49 3.7 43.3 1.0 CG D:GLN48 3.9 37.7 1.0 NE2 D:GLN48 4.0 34.3 1.0 CE1 D:PHE49 4.2 44.2 1.0 OE2 D:GLU99 4.3 22.5 1.0 CE2 D:PHE49 4.5 45.2 1.0 CG D:GLU99 4.5 20.9 1.0 CD2 D:LEU45 4.6 27.6 1.0

M.C.Wahl, A.Irmler, B.Hecker, R.H.Schirmer, K.Becker. Comparative Structural Analysis of Oxidized and Reduced Thioredoxin From Drosophila Melanogaster J.Mol.Biol. V. 345 1119 2005.
ISSN: ISSN 0022-2836
PubMed: 15644209
DOI: 10.1016/J.JMB.2004.11.004