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Cadmium in PDB 1znl: 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: 1znl 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) 38.00 / 1.70
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 53.718, 53.718, 137.510, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 22.6

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Strong Solute-Solute Dispersive Interactions in A Protein- Ligand Complex (pdb code 1znl). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 4 binding sites of Cadmium where determined in the Strong Solute-Solute Dispersive Interactions in A Protein- Ligand Complex, PDB code: 1znl:
Jump to Cadmium binding site number: 1; 2; 3; 4;

Cadmium binding site 1 out of 4 in 1znl

Go back to Cadmium Binding Sites List in 1znl
Cadmium binding site 1 out of 4 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:13.5
occ:1.00
OE1 A:GLU139 2.2 13.9 1.0
O A:HOH401 2.3 12.6 1.0
O A:HOH324 2.3 20.2 1.0
O A:HOH437 2.4 16.9 1.0
OE2 A:GLU139 2.5 12.1 1.0
CD A:GLU139 2.7 14.3 1.0
NE2 A:GLN136 4.2 10.4 1.0
O A:HOH369 4.2 36.6 1.0
CG A:GLU139 4.2 11.8 1.0
O A:HOH333 4.3 27.6 1.0
OE1 A:GLN136 4.5 15.0 1.0
O A:HOH272 4.5 26.8 1.0
CD A:GLN136 4.8 12.3 1.0

Cadmium binding site 2 out of 4 in 1znl

Go back to Cadmium Binding Sites List in 1znl
Cadmium binding site 2 out of 4 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:24.7
occ:1.00
O A:HOH402 1.9 28.6 1.0
O A:HOH210 2.2 25.7 1.0
O A:HOH372 2.3 39.5 1.0
OE1 A:GLU13 2.3 20.5 1.0
O A:HOH408 2.4 21.6 1.0
OE2 A:GLU13 2.6 34.3 1.0
CD A:GLU13 2.7 25.6 1.0
O A:HOH231 3.9 52.8 1.0
CG A:GLU13 4.2 24.4 1.0
O A:HOH258 4.8 48.2 1.0

Cadmium binding site 3 out of 4 in 1znl

Go back to Cadmium Binding Sites List in 1znl
Cadmium binding site 3 out of 4 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 3 of Strong Solute-Solute Dispersive Interactions in A Protein- Ligand Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd202

b:38.3
occ:1.00
O A:HOH320 2.2 18.1 1.0
ND1 A:HIS104 2.4 16.8 1.0
O A:HOH322 2.5 15.4 1.0
O A:HOH409 2.5 26.3 1.0
CE1 A:HIS104 3.1 18.1 1.0
CG A:HIS104 3.4 13.3 1.0
CD A:CD203 3.6 42.8 1.0
O A:HOH319 3.7 43.3 1.0
OG1 A:THR91 3.7 13.2 1.0
O A:HOH407 3.8 92.9 1.0
CB A:HIS104 3.9 10.4 1.0
NE2 A:HIS104 4.1 12.1 1.0
CD2 A:HIS104 4.3 14.1 1.0
CE1 A:HIS141 4.4 14.0 1.0
O A:HOH421 4.4 48.2 1.0
O A:HOH425 4.4 40.2 1.0
O A:HOH255 4.6 39.7 1.0
O A:HOH385 4.7 47.1 1.0
O A:HIS104 4.7 12.1 1.0
CB A:THR91 4.9 13.4 1.0
CG2 A:THR91 5.0 13.7 1.0

Cadmium binding site 4 out of 4 in 1znl

Go back to Cadmium Binding Sites List in 1znl
Cadmium binding site 4 out of 4 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 4 of Strong Solute-Solute Dispersive Interactions in A Protein- Ligand Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd203

b:42.8
occ:1.00
O A:HOH327 2.4 24.6 1.0
CE1 A:HIS141 2.5 14.0 1.0
O A:HOH322 2.5 15.4 1.0
O A:HOH385 2.6 47.1 1.0
NE2 A:HIS141 2.9 17.4 1.0
CD A:CD202 3.6 38.3 1.0
ND1 A:HIS141 3.7 18.5 1.0
O A:HOH212 3.9 14.2 1.0
O A:HOH319 4.1 43.3 1.0
CD2 A:HIS141 4.2 14.6 1.0
O A:HOH339 4.3 35.8 1.0
CG A:HIS141 4.6 14.9 1.0
ND1 A:HIS104 5.0 16.8 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 12:45:59 2020
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