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Cadmium in PDB 1znk: Strong Solute-Solute Dispersive Interactions in A Protein- Ligand Complex

Protein crystallography data

The structure of Strong Solute-Solute Dispersive Interactions in A Protein- Ligand Complex, PDB code: 1znk was solved by R.Malham, S.Johnstone, R.J.Bingham, E.Barratt, S.E.Phillips, C.A.Laughton, S.W.Homans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.20 / 1.60
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 53.498, 53.498, 137.401, 90.00, 90.00, 90.00
R / Rfree (%) 21.3 / 25.5

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Strong Solute-Solute Dispersive Interactions in A Protein- Ligand Complex (pdb code 1znk). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Strong Solute-Solute Dispersive Interactions in A Protein- Ligand Complex, PDB code: 1znk:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in 1znk

Go back to Cadmium Binding Sites List in 1znk
Cadmium binding site 1 out of 2 in the Strong Solute-Solute Dispersive Interactions in A Protein- Ligand Complex


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Strong Solute-Solute Dispersive Interactions in A Protein- Ligand Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd200

b:14.4
occ:1.00
OE1 A:GLU139 2.3 13.6 1.0
O A:HOH460 2.3 17.7 1.0
O A:HOH458 2.3 15.5 1.0
O A:HOH457 2.3 14.2 1.0
OE2 A:GLU139 2.5 12.3 1.0
CD A:GLU139 2.7 11.6 1.0
NE2 A:GLN136 4.1 10.8 1.0
O A:HOH427 4.1 29.7 1.0
CG A:GLU139 4.2 14.1 1.0
O A:HOH266 4.3 26.8 1.0
O A:HOH246 4.5 25.9 1.0
OE1 A:GLN136 4.6 16.4 1.0
CD A:GLN136 4.8 12.1 1.0

Cadmium binding site 2 out of 2 in 1znk

Go back to Cadmium Binding Sites List in 1znk
Cadmium binding site 2 out of 2 in the Strong Solute-Solute Dispersive Interactions in A Protein- Ligand Complex


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Strong Solute-Solute Dispersive Interactions in A Protein- Ligand Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd201

b:24.6
occ:1.00
O A:HOH227 2.2 22.7 1.0
OE1 A:GLU13 2.3 20.3 1.0
O A:HOH466 2.3 35.1 1.0
O A:HOH467 2.4 39.0 1.0
OE2 A:GLU13 2.5 39.5 1.0
CD A:GLU13 2.7 29.9 1.0
CG A:GLU13 4.2 25.9 1.0
O A:HOH291 4.8 45.0 1.0
CB A:GLU13 5.0 22.4 1.0

Reference:

R.Malham, S.Johnstone, R.J.Bingham, E.Barratt, S.E.Phillips, C.A.Laughton, S.W.Homans. Strong Solute-Solute Dispersive Interactions in A Protein-Ligand Complex. J.Am.Chem.Soc. V. 127 17061 2005.
ISSN: ISSN 0002-7863
PubMed: 16316253
DOI: 10.1021/JA055454G
Page generated: Wed Oct 28 09:58:59 2020
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