Cadmium in PDB 5ax2: Crystal Structure of S.Cerevisiae KTI11P

The structure of Crystal Structure of S.Cerevisiae KTI11P, PDB code: 5ax2 was solved by A.Kumar, K.Nagarathinam, M.Tanabe, J.Balbach, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.00 / 2.40
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	40.875, 53.656, 84.196, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 26.2

The binding sites of Cadmium atom in the Crystal Structure of S.Cerevisiae KTI11P (pdb code 5ax2). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 4 binding sites of Cadmium where determined in the Crystal Structure of S.Cerevisiae KTI11P, PDB code: 5ax2:
Jump to Cadmium binding site number: 1; 2; 3; 4;

Cadmium binding site 1 out of 4 in the Crystal Structure of S.Cerevisiae KTI11P


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of S.Cerevisiae KTI11P within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd101 b:41.4 occ:0.50 OD2 A:ASP37 2.2 36.2 1.0 OD1 A:ASP37 2.3 40.4 1.0 CG A:ASP37 2.6 37.6 1.0 CB A:ASP37 4.1 31.1 1.0 OD1 A:ASP38 4.1 37.5 1.0 OD2 A:ASP38 4.2 42.8 1.0 CB A:TYR35 4.5 33.8 1.0 CG A:ASP38 4.5 38.5 1.0 CG A:TYR35 4.6 39.0 1.0 CD1 A:TYR35 4.8 38.9 1.0

Cadmium binding site 2 out of 4 in the Crystal Structure of S.Cerevisiae KTI11P


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of S.Cerevisiae KTI11P within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd102 b:52.2 occ:0.50 OE1 A:GLU43 2.2 41.3 1.0 OE2 A:GLU43 2.8 50.9 1.0 CD A:GLU43 2.9 47.5 1.0 CG A:GLU43 4.3 42.2 1.0 CB A:VAL45 4.4 37.9 1.0 CG2 A:VAL45 4.6 34.0 1.0 CB A:GLU43 5.0 37.8 1.0

Cadmium binding site 3 out of 4 in the Crystal Structure of S.Cerevisiae KTI11P


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Crystal Structure of S.Cerevisiae KTI11P within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd103 b:41.4 occ:0.50 OD1 A:ASP63 2.2 35.1 1.0 OD2 A:ASP60 2.3 40.1 1.0 OD1 A:ASP60 2.9 52.2 1.0 CG A:ASP60 2.9 45.2 1.0 CG A:ASP63 3.0 42.1 1.0 OD2 A:ASP63 3.0 45.6 1.0 O A:HOH203 3.9 44.6 1.0 CB A:ASP60 4.4 41.5 1.0 CB A:ASP63 4.4 40.4 1.0 N A:ASP63 4.6 39.6 1.0 OE1 A:GLU62 4.8 63.0 1.0 N A:ASP60 4.8 37.1 1.0 CA A:ASP63 4.9 37.6 1.0

Cadmium binding site 4 out of 4 in the Crystal Structure of S.Cerevisiae KTI11P


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Crystal Structure of S.Cerevisiae KTI11P within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd104 b:52.2 occ:0.50 OE1 A:GLU69 2.3 49.7 1.0 OE2 A:GLU69 2.7 52.9 1.0 CD A:GLU69 2.9 48.6 1.0 O A:HOH205 3.2 41.7 1.0 CG A:GLU69 4.4 45.5 1.0

A.Klamt, K.Nagarathinam, M.Tanabe, A.Kumar, J.Balbach. Hyperbolic Pressure-Temperature Phase Diagram of the Zinc-Finger Protein APOKTI11 Detected By uc(Nmr) Spectroscopy. J Phys Chem B V. 123 792 2019.
ISSN: ISSN 1520-5207
PubMed: 30608169
DOI: 10.1021/ACS.JPCB.8B11019