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

Protein crystallography data

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

Cadmium Binding Sites:

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 1i06

Go back to Cadmium Binding Sites List in 1i06
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 1i06

Go back to Cadmium Binding Sites List in 1i06
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 1i06

Go back to Cadmium Binding Sites List in 1i06
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 1i06

Go back to Cadmium Binding Sites List in 1i06
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

Reference:

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
Page generated: Fri Aug 28 11:56:15 2020
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