Zinc in PDB 3hru: Crystal Structure of Scar with Bound ZN2+

The structure of Crystal Structure of Scar with Bound ZN2+, PDB code: 3hru 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)	49.99 / 2.90
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	70.700, 70.700, 301.900, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 29.2

The binding sites of Zinc atom in the Crystal Structure of Scar with Bound ZN2+ (pdb code 3hru). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Scar with Bound ZN2+, PDB code: 3hru:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Scar with Bound ZN2+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Scar with Bound ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn216 b:87.2 occ:1.00 OE1 A:GLU80 2.0 97.7 1.0 OD2 A:ASP160 2.3 0.1 1.0 SG A:CYS123 2.5 66.8 1.0 ND1 A:HIS125 2.6 97.9 1.0 CG A:ASP160 3.3 0.6 1.0 CD A:GLU80 3.3 0.2 1.0 CG A:HIS125 3.4 95.7 1.0 CB A:CYS123 3.4 54.5 1.0 CB A:HIS125 3.5 87.3 1.0 OD1 A:ASP160 3.5 0.6 1.0 CE1 A:HIS125 3.6 1.0 1.0 N A:HIS125 4.0 85.7 1.0 CG A:GLU80 4.1 80.8 1.0 OE2 A:GLU80 4.1 94.9 1.0 CD A:PRO124 4.2 88.2 1.0 CA A:HIS125 4.3 86.3 1.0 CD2 A:HIS125 4.5 94.1 1.0 N A:PRO124 4.6 92.8 1.0 NE2 A:HIS125 4.6 0.7 1.0 CB A:GLU80 4.6 68.4 1.0 CB A:ASP160 4.7 0.8 1.0 CA A:CYS123 4.7 53.6 1.0 C A:CYS123 4.7 78.4 1.0 NE A:ARG77 4.8 64.6 1.0 NE2 A:HIS76 4.9 76.2 1.0 O4 A:SO4217 4.9 0.1 1.0 CD2 A:HIS76 5.0 69.8 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Scar with Bound ZN2+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Scar with Bound ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn216 b:0.6 occ:1.00 OE1 B:GLU80 2.2 0.2 1.0 SG B:CYS123 2.4 97.9 1.0 OD2 B:ASP160 2.4 0.7 1.0 OD1 B:ASP160 2.8 1.0 1.0 CG B:ASP160 2.8 0.9 1.0 ND1 B:HIS125 3.0 0.6 1.0 CD B:GLU80 3.0 1.0 1.0 OE2 B:GLU80 3.1 0.0 1.0 CB B:HIS125 3.6 0.8 1.0 CB B:CYS123 3.6 90.5 1.0 CG B:HIS125 3.7 0.6 1.0 CE1 B:HIS125 4.0 0.7 1.0 CB B:ASP160 4.1 0.1 1.0 CG B:ARG77 4.2 81.6 1.0 NE B:ARG77 4.2 0.7 1.0 CD B:ARG77 4.3 98.6 1.0 N B:HIS125 4.4 97.4 1.0 CG B:GLU80 4.4 0.7 1.0 NE2 B:HIS76 4.5 96.0 1.0 CA B:HIS125 4.6 0.1 1.0 CA B:ASP160 4.6 0.9 1.0 O2 B:SO4217 4.6 0.7 1.0 CD2 B:HIS76 4.6 94.0 1.0 CD B:PRO124 4.7 93.2 1.0 CD2 B:HIS125 4.9 0.9 1.0 CB B:GLU80 5.0 88.5 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