Cobalt in PDB 3zgj: S221M V223F Y359A Mutant of 4-Hydroxymandelate Synthase From Streptomyces Coelicolor

All present enzymatic activity of S221M V223F Y359A Mutant of 4-Hydroxymandelate Synthase From Streptomyces Coelicolor:
1.13.11.46;

The structure of S221M V223F Y359A Mutant of 4-Hydroxymandelate Synthase From Streptomyces Coelicolor, PDB code: 3zgj was solved by S.Pratter, G.Straganz, G.Grogan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.95 / 1.95
Space group	P 4
Cell size a, b, c (Å), α, β, γ (°)	122.870, 122.870, 54.860, 90.00, 90.00, 90.00
R / Rfree (%)	17.505 / 21.504

The binding sites of Cobalt atom in the S221M V223F Y359A Mutant of 4-Hydroxymandelate Synthase From Streptomyces Coelicolor (pdb code 3zgj). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the S221M V223F Y359A Mutant of 4-Hydroxymandelate Synthase From Streptomyces Coelicolor, PDB code: 3zgj:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the S221M V223F Y359A Mutant of 4-Hydroxymandelate Synthase From Streptomyces Coelicolor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of S221M V223F Y359A Mutant of 4-Hydroxymandelate Synthase From Streptomyces Coelicolor within 5.0Å range: probe atom residue distance (Å) B Occ A:Co1368 b:27.1 occ:1.00 OE1 A:GLU340 2.1 22.8 1.0 O12 A:RMN1369 2.1 41.7 1.0 NE2 A:HIS181 2.1 17.6 1.0 NE2 A:HIS261 2.1 25.5 1.0 O8 A:RMN1369 2.3 34.5 1.0 C10 A:RMN1369 2.8 42.0 1.0 C7 A:RMN1369 3.0 39.6 1.0 CE1 A:HIS181 3.0 19.8 1.0 CE1 A:HIS261 3.1 25.7 1.0 CD2 A:HIS261 3.1 22.5 1.0 CD A:GLU340 3.1 24.7 1.0 CD2 A:HIS181 3.1 18.4 1.0 OE2 A:GLU340 3.5 28.4 1.0 C1 A:RMN1369 3.7 43.9 1.0 O11 A:RMN1369 3.9 54.3 1.0 C6 A:RMN1369 4.2 36.0 1.0 ND1 A:HIS181 4.2 19.5 1.0 ND1 A:HIS261 4.2 23.7 1.0 CG A:HIS181 4.3 18.4 1.0 CG A:HIS261 4.3 23.3 1.0 NE2 A:GLN325 4.3 28.0 1.0 CE1 A:PHE327 4.3 30.3 1.0 CG A:GLU340 4.4 22.7 1.0 CB A:ALA263 4.5 22.1 1.0 CZ A:PHE327 4.6 26.9 1.0 CB A:GLU340 4.6 20.6 1.0 C2 A:RMN1369 4.6 42.0 1.0 CB A:ALA183 4.7 19.6 1.0 OG1 A:THR234 4.8 28.0 1.0

Cobalt binding site 2 out of 2 in the S221M V223F Y359A Mutant of 4-Hydroxymandelate Synthase From Streptomyces Coelicolor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of S221M V223F Y359A Mutant of 4-Hydroxymandelate Synthase From Streptomyces Coelicolor within 5.0Å range: probe atom residue distance (Å) B Occ B:Co1368 b:21.0 occ:1.00 OE1 B:GLU340 1.8 19.6 1.0 NE2 B:HIS181 2.1 16.8 1.0 NE2 B:HIS261 2.1 19.6 1.0 O12 B:RMN1369 2.1 37.8 1.0 O8 B:RMN1369 2.3 33.5 1.0 CE1 B:HIS181 2.9 17.3 1.0 CD B:GLU340 3.0 23.7 1.0 CD2 B:HIS261 3.0 20.0 1.0 C10 B:RMN1369 3.1 46.5 1.0 CE1 B:HIS261 3.1 20.9 1.0 CD2 B:HIS181 3.1 18.1 1.0 C7 B:RMN1369 3.3 46.9 1.0 OE2 B:GLU340 3.5 21.6 1.0 C1 B:RMN1369 4.0 46.8 1.0 ND1 B:HIS181 4.1 16.8 1.0 CG B:HIS261 4.2 19.2 1.0 ND1 B:HIS261 4.2 19.5 1.0 CG B:HIS181 4.2 16.4 1.0 O11 B:RMN1369 4.2 50.7 1.0 CE1 B:PHE327 4.2 20.9 1.0 CG B:GLU340 4.3 22.7 1.0 CB B:ALA263 4.4 15.7 1.0 NE2 B:GLN325 4.4 23.4 1.0 C2 B:RMN1369 4.5 44.5 1.0 CB B:GLU340 4.5 17.4 1.0 CZ B:PHE327 4.6 21.9 1.0 C6 B:RMN1369 4.7 45.6 1.0 CB B:ALA183 4.7 17.1 1.0 OG1 B:THR234 4.9 32.9 1.0

S.Pratter, C.Konstantinovics, C.L.M.Digiuro, E.Leitner, D.Kumar, S.P.De Visser, G.Grogan, G.Straganz. Inversion of Enantioselectivity of A Mononuclear Non-Heme Iron(II)-Dependent Hydroxylase By Tuning the Interplay of Metal Center Geometry and Protein Structure Angew.Chem.Int.Ed.Engl. V. 52 9677 2013.
ISSN: ISSN 1433-7851
PubMed: 23881738
DOI: 10.1002/ANGE.201304633