Cadmium in PDB 4nef: X-Ray Structure of Human Aquaporin 2

The structure of X-Ray Structure of Human Aquaporin 2, PDB code: 4nef was solved by A.Frick, U.Eriksson, F.D.Mattia, F.Oberg, K.Hedfalk, R.Neutze, W.D.Grip, P.M.T.Deen, S.Tornroth-Horsefield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.96 / 2.75
Space group	P 42
Cell size a, b, c (Å), α, β, γ (°)	119.110, 119.110, 90.621, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 22.5

The structure of X-Ray Structure of Human Aquaporin 2 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Cadmium atom in the X-Ray Structure of Human Aquaporin 2 (pdb code 4nef). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the X-Ray Structure of Human Aquaporin 2, PDB code: 4nef:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the X-Ray Structure of Human Aquaporin 2


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of X-Ray Structure of Human Aquaporin 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd301 b:48.5 occ:1.00 OE2 A:GLU155 2.4 72.9 1.0 O A:HOH405 2.4 6.8 1.0 OE1 D:GLN57 2.5 55.8 1.0 OE1 A:GLU155 2.5 54.2 1.0 O D:HOH409 2.6 15.6 1.0 CD A:GLU155 2.8 65.8 1.0 CD D:GLN57 3.5 59.5 1.0 NE2 D:GLN57 3.8 50.8 1.0 CB D:ALA161 4.0 39.4 1.0 NH2 A:ARG153 4.1 42.3 1.0 O D:HOH408 4.2 33.8 1.0 CG A:GLU155 4.3 38.7 1.0 OG A:SER163 4.4 45.6 1.0 OG1 A:THR159 4.5 41.4 1.0 O A:HOH406 4.5 37.4 1.0 N D:ALA161 4.6 41.1 1.0 CD D:PRO160 4.8 48.7 1.0 CG D:GLN57 4.8 48.6 1.0 CA D:ALA161 4.9 39.1 1.0 NH1 A:ARG153 5.0 31.6 1.0 CB A:THR159 5.0 36.5 1.0

Cadmium binding site 2 out of 2 in the X-Ray Structure of Human Aquaporin 2


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of X-Ray Structure of Human Aquaporin 2 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cd301 b:87.5 occ:0.65 O D:HOH411 3.4 50.9 1.0 O D:GLU155 4.0 74.8 1.0 O D:GLY154 4.5 88.2 1.0 CA D:GLU155 4.5 81.1 1.0 C D:GLY154 4.7 90.6 1.0 N D:GLU155 4.7 85.0 1.0 C D:GLU155 4.8 75.6 1.0

A.Frick, U.Eriksson, F.D.Mattia, F.Oberg, K.Hedfalk, R.Neutze, W.D.Grip, P.M.T.Deen, S.Tornroth-Horsefield. X-Ray Structure of Human Aquapor in 2 and Its Implications For Nephrogenic Diabetes Insipidus and Trafficking Proc.Natl.Acad.Sci.Usa 2014.
ISSN: ESSN 1091-6490