Cadmium in PDB 1i06: Crystal Structure of Mouse Major Urinary Protein (Mup-I) Complexed with Sec-Butyl-Thiazoline

The structure of Crystal Structure of Mouse Major Urinary Protein (Mup-I) Complexed with Sec-Butyl-Thiazoline, PDB code: 1i06 was solved by D.E.Timm, L.J.Baker, H.Mueller, L.Zidek, M.V.Novotny, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.033, 57.033, 108.976, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 24.7

The binding sites of Cadmium atom in the Crystal Structure of Mouse Major Urinary Protein (Mup-I) Complexed with Sec-Butyl-Thiazoline (pdb code 1i06). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 4 binding sites of Cadmium where determined in the Crystal Structure of Mouse Major Urinary Protein (Mup-I) Complexed with Sec-Butyl-Thiazoline, PDB code: 1i06:
Jump to Cadmium binding site number: 1; 2; 3; 4;

Cadmium binding site 1 out of 4 in the Crystal Structure of Mouse Major Urinary Protein (Mup-I) Complexed with Sec-Butyl-Thiazoline


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 Mouse Major Urinary Protein (Mup-I) Complexed with Sec-Butyl-Thiazoline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd401 b:22.8 occ:1.00 NE2 A:HIS122 2.5 24.5 1.0 ND1 A:HIS159 2.5 24.9 1.0 NE2 A:GLN133 2.5 33.3 1.0 O A:HOH514 2.6 22.3 1.0 CD2 A:HIS122 3.3 23.3 1.0 CG A:HIS159 3.4 25.1 1.0 CE1 A:HIS122 3.4 27.2 1.0 CE1 A:HIS159 3.4 25.2 1.0 CD A:GLN133 3.5 37.8 1.0 CB A:HIS159 3.6 26.6 1.0 OE1 A:GLN133 3.9 40.4 1.0 O A:HIS159 4.5 29.4 1.0 CG A:HIS122 4.5 24.7 1.0 ND1 A:HIS122 4.5 24.7 1.0 CA A:HIS159 4.5 29.1 1.0 NE2 A:HIS159 4.5 23.8 1.0 CD2 A:HIS159 4.6 21.8 1.0 CB A:GLN133 4.6 30.0 1.0 CG A:GLN133 4.7 36.8 1.0 C A:HIS159 5.0 30.0 1.0

Cadmium binding site 2 out of 4 in the Crystal Structure of Mouse Major Urinary Protein (Mup-I) Complexed with Sec-Butyl-Thiazoline


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 Mouse Major Urinary Protein (Mup-I) Complexed with Sec-Butyl-Thiazoline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd402 b:34.8 occ:1.00 O A:HOH506 2.1 16.5 1.0 OE2 A:GLU36 2.6 30.3 1.0 O A:HOH529 2.6 33.3 1.0 O A:HOH520 2.7 32.7 1.0 OE1 A:GLU36 2.8 28.1 1.0 CD A:GLU36 3.0 29.5 1.0 O A:HOH503 3.7 17.5 1.0 O A:ARG140 4.5 24.4 1.0 CG A:GLU36 4.5 24.3 1.0 NE2 A:HIS38 4.6 25.9 1.0

Cadmium binding site 3 out of 4 in the Crystal Structure of Mouse Major Urinary Protein (Mup-I) Complexed with Sec-Butyl-Thiazoline


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 Mouse Major Urinary Protein (Mup-I) Complexed with Sec-Butyl-Thiazoline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd403 b:47.2 occ:0.50 OD1 A:ASP79 2.6 47.6 1.0 O A:HOH537 2.7 37.5 1.0 OD2 A:ASP79 3.1 53.8 1.0 CG A:ASP79 3.3 47.2 1.0 CB A:ASP79 4.8 42.4 1.0

Cadmium binding site 4 out of 4 in the Crystal Structure of Mouse Major Urinary Protein (Mup-I) Complexed with Sec-Butyl-Thiazoline


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 Mouse Major Urinary Protein (Mup-I) Complexed with Sec-Butyl-Thiazoline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd404 b:32.0 occ:0.50 OE1 A:GLU61 2.6 40.5 1.0 OE1 A:GLU84 2.7 60.4 1.0 OE2 A:GLU61 2.7 40.0 1.0 CD A:GLU61 3.0 36.6 1.0 OE2 A:GLU84 3.2 64.2 1.0 CD A:GLU84 3.3 59.8 1.0 O A:HOH557 4.4 34.7 1.0 CG A:GLU61 4.4 32.9 1.0 CB A:HIS75 4.5 27.0 1.0 ND1 A:HIS75 4.7 33.2 1.0 CG A:GLU84 4.8 53.3 1.0

D.E.Timm, L.J.Baker, H.Mueller, L.Zidek, M.V.Novotny. Structural Basis of Pheromone Binding to Mouse Major Urinary Protein (Mup-I) Protein Sci. V. 10 997 2001.
ISSN: ISSN 0961-8368
PubMed: 11316880
DOI: 10.1110/PS.52201