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

The structure of Strong Solute-Solute Dispersive Interactions in A Protein- Ligand Complex, PDB code: 1znd 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)	19.50 / 1.60
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.511, 53.511, 136.974, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 20.4

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

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:13.3 occ:1.00 O A:HOH408 2.3 17.2 1.0 OE1 A:GLU139 2.3 13.5 1.0 O A:HOH335 2.3 15.0 1.0 O A:HOH407 2.4 13.4 1.0 OE2 A:GLU139 2.4 12.2 1.0 CD A:GLU139 2.7 12.7 1.0 NE2 A:GLN136 4.1 11.9 1.0 CG A:GLU139 4.2 13.1 1.0 O A:HOH253 4.2 25.1 1.0 O A:HOH234 4.4 27.3 1.0 OE1 A:GLN136 4.5 17.0 1.0 CD A:GLN136 4.8 11.9 1.0 O A:HOH270 5.0 28.4 1.0

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:25.8 occ:1.00 OE1 A:GLU13 2.3 23.2 1.0 O A:HOH409 2.3 20.2 1.0 O A:HOH217 2.3 24.4 1.0 OE2 A:GLU13 2.6 32.7 1.0 CD A:GLU13 2.7 26.6 1.0 CG A:GLU13 4.2 23.8 1.0 O A:HOH276 4.7 44.2 1.0

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