Manganese in PDB 1bva: Manganese Binding Mutant in Cytochrome C Peroxidase

All present enzymatic activity of Manganese Binding Mutant in Cytochrome C Peroxidase:
1.11.1.5;

The structure of Manganese Binding Mutant in Cytochrome C Peroxidase, PDB code: 1bva was solved by S.K.Wilcox, D.E.Mcree, D.B.Goodin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.89
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.800, 73.600, 50.500, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / n/a

The structure of Manganese Binding Mutant in Cytochrome C Peroxidase also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Manganese atom in the Manganese Binding Mutant in Cytochrome C Peroxidase (pdb code 1bva). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Manganese Binding Mutant in Cytochrome C Peroxidase, PDB code: 1bva:

Manganese binding site 1 out of 1 in the Manganese Binding Mutant in Cytochrome C Peroxidase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Manganese Binding Mutant in Cytochrome C Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn391 b:24.1 occ:1.00 O2D A:HEM390 2.3 16.5 1.0 OD1 A:ASP45 2.8 33.3 1.0 N A:GLY41 2.9 27.3 1.0 O A:GLY41 3.2 7.7 1.0 CGD A:HEM390 3.3 5.3 1.0 O A:HOH660 3.5 29.6 1.0 CA A:GLY41 3.5 20.8 1.0 CG A:ASP45 3.5 28.3 1.0 NE2 A:HIS181 3.7 14.6 1.0 C A:GLY41 3.7 20.9 1.0 OD2 A:ASP45 3.7 26.0 1.0 O1D A:HEM390 3.8 9.4 1.0 O A:HOH634 3.9 27.3 1.0 C A:ILE40 3.9 35.5 1.0 CA A:ILE40 4.1 34.6 1.0 CB A:ASP44 4.3 9.0 1.0 O A:TYR39 4.3 31.3 1.0 CE1 A:HIS181 4.4 19.4 1.0 N A:ASP45 4.5 11.5 1.0 CBD A:HEM390 4.5 10.2 1.0 CD2 A:HIS181 4.5 8.1 1.0 CB A:ASP45 4.7 20.6 1.0 CA A:ASP45 4.9 12.9 1.0 OD2 A:ASP44 4.9 21.0 1.0 N A:TYR42 4.9 12.7 1.0

S.K.Wilcox, C.D.Putnam, M.Sastry, J.Blankenship, W.J.Chazin, D.E.Mcree, D.B.Goodin. Rational Design of A Functional Metalloenzyme: Introduction of A Site For Manganese Binding and Oxidation Into A Heme Peroxidase. Biochemistry V. 37 16853 1998.
ISSN: ISSN 0006-2960
PubMed: 9836578
DOI: 10.1021/BI9815039