Manganese in PDB 5d6m: Mn(II)-Loaded Mnccp.1

All present enzymatic activity of Mn(II)-Loaded Mnccp.1:
1.11.1.5;

The structure of Mn(II)-Loaded Mnccp.1, PDB code: 5d6m was solved by H.Robinson, Y.-G.Gao, P.Hosseinzadeh, Y.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.65 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.431, 52.581, 136.480, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 19.7

The structure of Mn(II)-Loaded Mnccp.1 also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Manganese atom in the Mn(II)-Loaded Mnccp.1 (pdb code 5d6m). 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 Mn(II)-Loaded Mnccp.1, PDB code: 5d6m:

Manganese binding site 1 out of 1 in the Mn(II)-Loaded Mnccp.1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Mn(II)-Loaded Mnccp.1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:33.8 occ:1.00 O2D A:HEM301 2.2 29.2 1.0 O A:HOH532 2.3 24.6 1.0 O A:HOH412 2.4 34.8 1.0 OE1 A:GLU37 3.2 48.5 1.0 CGD A:HEM301 3.2 27.9 1.0 O1D A:HEM301 3.5 18.8 1.0 OE2 A:GLU37 3.6 42.6 1.0 CD A:GLU37 3.8 38.6 1.0 O A:HOH430 3.8 25.7 1.0 OE2 A:GLU45 3.9 26.1 1.0 OE1 A:GLU181 4.1 36.4 1.0 O1A A:HEM301 4.2 20.4 1.0 ND2 A:ASN184 4.4 22.7 1.0 CBD A:HEM301 4.6 21.5 1.0 O A:GLY84 4.6 27.7 1.0 O A:LYS179 4.6 21.0 1.0 CD A:GLU45 4.7 31.5 1.0 O A:HOH718 4.7 27.8 1.0 O A:HOH520 4.8 26.0 1.0 O A:HOH418 4.9 40.1 1.0 CG A:GLU45 4.9 27.0 1.0 CG A:GLU181 5.0 27.8 1.0 CD A:GLU181 5.0 34.3 1.0

P.Hosseinzadeh, E.N.Mirts, T.D.Pfister, Y.G.Gao, C.Mayne, H.Robinson, E.Tajkhorshid, Y.Lu. Enhancing Mn(II)-Binding and Manganese Peroxidase Activity in A Designed Cytochrome C Peroxidase Through Fine-Tuning Secondary-Sphere Interactions. Biochemistry V. 55 1494 2016.
ISSN: ISSN 0006-2960
PubMed: 26885726
DOI: 10.1021/ACS.BIOCHEM.5B01299