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Cadmium in PDB 1zng: 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: 1zng 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) 19.60 / 1.60
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 53.607, 53.607, 137.381, 90.00, 90.00, 90.00
R / Rfree (%) 18.8 / 21.6

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Strong Solute-Solute Dispersive Interactions in A Protein- Ligand Complex (pdb code 1zng). 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: 1zng:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in 1zng

Go back to Cadmium Binding Sites List in 1zng
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:12.9
occ:1.00
OE1 A:GLU139 2.2 11.7 1.0
O A:HOH438 2.3 14.4 1.0
O A:HOH436 2.3 12.8 1.0
O A:HOH439 2.4 15.8 1.0
OE2 A:GLU139 2.5 10.4 1.0
CD A:GLU139 2.7 12.9 1.0
NE2 A:GLN136 4.2 10.5 1.0
CG A:GLU139 4.2 12.7 1.0
O A:HOH239 4.4 24.2 1.0
OE1 A:GLN136 4.5 16.3 1.0
O A:HOH250 4.5 24.9 1.0
CD A:GLN136 4.8 11.1 1.0

Cadmium binding site 2 out of 2 in 1zng

Go back to Cadmium Binding Sites List in 1zng
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:22.4
occ:1.00
O A:HOH221 2.2 20.5 1.0
OE1 A:GLU13 2.3 19.3 1.0
O A:HOH440 2.4 18.0 1.0
OE2 A:GLU13 2.6 37.2 1.0
CD A:GLU13 2.7 24.9 1.0
O A:HOH393 3.9 47.3 1.0
CG A:GLU13 4.2 24.6 1.0
O A:HOH275 4.9 42.1 1.0
CB A:GLU13 5.0 19.3 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: Fri Aug 28 12:45:32 2020
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