Cadmium in PDB 3hrt: Crystal Structure of Scar with Bound CD2+

The structure of Crystal Structure of Scar with Bound CD2+, PDB code: 3hrt was solved by K.E.Stoll, W.E.Draper, J.I.Kliegman, M.V.Golynskiy, R.A.T.Brew-Appiah, H.K.Brown, W.A.Breyer, N.S.Jakubovics, H.F.Jenkinson, R.B.Brennan, S.M.Cohen, A.Glasfeld, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.25 / 2.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	70.860, 70.860, 304.100, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 28.2

The binding sites of Cadmium atom in the Crystal Structure of Scar with Bound CD2+ (pdb code 3hrt). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Crystal Structure of Scar with Bound CD2+, PDB code: 3hrt:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Crystal Structure of Scar with Bound CD2+


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 Scar with Bound CD2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd501 b:98.4 occ:1.00 OE1 A:GLU80 2.4 99.0 1.0 SG A:CYS123 2.5 72.8 1.0 OD1 A:ASP160 2.8 0.0 1.0 ND1 A:HIS125 2.9 96.5 1.0 CD A:GLU80 3.3 99.9 1.0 OD2 A:ASP160 3.4 0.1 1.0 CG A:ASP160 3.5 0.9 1.0 OE2 A:GLU80 3.5 0.2 1.0 CB A:CYS123 3.7 77.1 1.0 CG A:HIS125 3.8 88.8 1.0 CB A:HIS125 3.9 87.0 1.0 CE1 A:HIS125 3.9 0.2 1.0 NE2 A:HIS76 4.3 94.3 1.0 CD2 A:HIS76 4.4 84.9 1.0 N A:HIS125 4.5 86.0 1.0 CD A:PRO124 4.6 93.3 1.0 CG A:GLU80 4.6 86.1 1.0 CG A:ARG77 4.6 68.9 1.0 NE A:ARG77 4.7 73.3 1.0 CA A:HIS125 4.8 85.2 1.0 CB A:ASP160 4.9 0.6 1.0 CB A:GLU80 4.9 79.3 1.0 CA A:CYS123 5.0 78.9 1.0 N A:PRO124 5.0 0.8 1.0 CD2 A:HIS125 5.0 92.6 1.0

Cadmium binding site 2 out of 2 in the Crystal Structure of Scar with Bound CD2+


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 Scar with Bound CD2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd501 b:0.0 occ:1.00 OE1 B:GLU80 2.4 0.7 1.0 SG B:CYS123 2.7 0.9 1.0 NE2 B:HIS125 2.7 0.2 1.0 CD2 B:HIS125 2.9 0.8 1.0 OD2 B:ASP160 2.9 0.9 1.0 CG B:ASP160 3.4 0.7 1.0 CD B:GLU80 3.4 0.6 1.0 OD1 B:ASP160 3.6 0.5 1.0 OE2 B:GLU80 3.7 0.4 1.0 CB B:CYS123 4.0 0.3 1.0 CE1 B:HIS125 4.0 0.9 1.0 NE2 B:HIS76 4.1 0.4 1.0 CG B:HIS125 4.2 0.2 1.0 NE B:ARG77 4.4 0.2 1.0 CD2 B:HIS76 4.4 0.7 1.0 CB B:ASP160 4.5 0.5 1.0 CD B:ARG77 4.7 0.1 1.0 CG B:GLU80 4.7 0.1 1.0 ND1 B:HIS125 4.7 0.1 1.0 CG B:ARG77 4.8 93.7 1.0 CA B:ASP160 4.9 0.2 1.0 N B:HIS125 4.9 0.7 1.0 CD B:PRO124 5.0 0.6 1.0

K.E.Stoll, W.E.Draper, J.I.Kliegman, M.V.Golynskiy, R.A.Brew-Appiah, R.K.Phillips, H.K.Brown, W.A.Breyer, N.S.Jakubovics, H.F.Jenkinson, R.G.Brennan, S.M.Cohen, A.Glasfeld. Characterization and Structure of the Manganese-Responsive Transcriptional Regulator Scar. Biochemistry V. 48 10308 2009.
ISSN: ISSN 0006-2960
PubMed: 19795834
DOI: 10.1021/BI900980G