Cobalt in PDB 2r5v: Hydroxymandelate Synthase Crystal Structure

All present enzymatic activity of Hydroxymandelate Synthase Crystal Structure:
1.13.11.46;

The structure of Hydroxymandelate Synthase Crystal Structure, PDB code: 2r5v was solved by J.M.Brownlee, P.He, G.R.Moran, D.H.T.Harrison, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.57 / 2.30
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	106.369, 106.369, 75.951, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 22.7

The binding sites of Cobalt atom in the Hydroxymandelate Synthase Crystal Structure (pdb code 2r5v). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Hydroxymandelate Synthase Crystal Structure, PDB code: 2r5v:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Hydroxymandelate Synthase Crystal Structure


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Hydroxymandelate Synthase Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Co4113 b:39.4 occ:1.00 O11 A:HHH4114 1.8 38.6 1.0 OE1 A:GLU320 2.1 29.2 1.0 NE2 A:HIS161 2.1 29.3 1.0 NE2 A:HIS241 2.2 23.2 1.0 O8 A:HHH4114 2.4 32.2 1.0 C10 A:HHH4114 2.8 39.2 1.0 CE1 A:HIS161 3.0 27.0 1.0 CD2 A:HIS241 3.0 19.7 1.0 C7 A:HHH4114 3.2 35.1 1.0 CD A:GLU320 3.2 30.6 1.0 CD2 A:HIS161 3.2 25.7 1.0 CE1 A:HIS241 3.3 23.2 1.0 OE2 A:GLU320 3.6 31.1 1.0 O12 A:HHH4114 3.9 43.7 1.0 CE1 A:PHE307 4.1 28.4 1.0 ND1 A:HIS161 4.2 25.7 1.0 NE2 A:GLN305 4.3 32.5 1.0 CG A:HIS241 4.3 23.0 1.0 CG A:HIS161 4.3 25.7 1.0 ND1 A:HIS241 4.4 23.6 1.0 CB A:ALA243 4.4 25.9 1.0 CG A:GLU320 4.5 27.6 1.0 C1 A:HHH4114 4.5 33.4 1.0 CZ A:PHE307 4.6 27.5 1.0 CB A:ALA163 4.6 20.9 1.0 CB A:GLU320 4.7 27.8 1.0 OG1 A:THR214 4.7 33.4 1.0

Cobalt binding site 2 out of 2 in the Hydroxymandelate Synthase Crystal Structure


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Hydroxymandelate Synthase Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Co4114 b:37.1 occ:1.00 OE1 B:GLU320 2.0 25.9 1.0 NE2 B:HIS241 2.0 25.3 1.0 O11 B:HHH4116 2.1 36.7 1.0 NE2 B:HIS161 2.1 20.7 1.0 O8 B:HHH4116 2.5 33.3 1.0 CE1 B:HIS241 3.0 23.5 1.0 C10 B:HHH4116 3.0 36.0 1.0 CE1 B:HIS161 3.0 19.9 1.0 CD2 B:HIS241 3.1 22.2 1.0 CD B:GLU320 3.1 28.6 1.0 C7 B:HHH4116 3.2 32.9 1.0 CD2 B:HIS161 3.2 14.5 1.0 OE2 B:GLU320 3.6 28.9 1.0 CE1 B:PHE307 4.1 29.6 1.0 ND1 B:HIS241 4.1 24.6 1.0 O12 B:HHH4116 4.1 38.9 1.0 CG B:HIS241 4.2 26.3 1.0 ND1 B:HIS161 4.2 21.0 1.0 CG B:HIS161 4.3 21.4 1.0 NE2 B:GLN305 4.3 30.7 1.0 CG B:GLU320 4.4 24.0 1.0 CB B:ALA243 4.5 23.1 1.0 C1 B:HHH4116 4.5 31.7 1.0 CZ B:PHE307 4.5 24.4 1.0 CB B:GLU320 4.6 26.9 1.0 CB B:ALA163 4.6 26.4 1.0 OG1 B:THR214 4.8 31.4 1.0

J.Brownlee, P.He, G.R.Moran, D.H.Harrison. Two Roads Diverged: the Structure of Hydroxymandelate Synthase From Amycolatopsis Orientalis in Complex with 4-Hydroxymandelate. Biochemistry V. 47 2002 2008.
ISSN: ISSN 0006-2960
PubMed: 18215022
DOI: 10.1021/BI701438R