Iron 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:

Manganese

(Mn)

1 atom

The binding sites of Iron atom in the Mn(II)-Loaded Mnccp.1 (pdb code 5d6m). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Mn(II)-Loaded Mnccp.1, PDB code: 5d6m:

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mn(II)-Loaded Mnccp.1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:17.6 occ:1.00 FE A:HEM301 0.0 17.6 1.0 ND A:HEM301 2.1 13.3 1.0 NA A:HEM301 2.2 18.9 1.0 NC A:HEM301 2.2 17.4 1.0 NB A:HEM301 2.2 17.5 1.0 NE2 A:HIS175 2.2 19.3 1.0 O A:HOH553 2.6 25.2 1.0 C1D A:HEM301 3.1 18.4 1.0 C4C A:HEM301 3.1 18.8 1.0 C4D A:HEM301 3.1 17.4 1.0 C1A A:HEM301 3.1 17.3 1.0 C4B A:HEM301 3.1 18.2 1.0 C4A A:HEM301 3.1 18.5 1.0 C1C A:HEM301 3.1 15.2 1.0 C1B A:HEM301 3.1 20.6 1.0 CD2 A:HIS175 3.2 18.2 1.0 CE1 A:HIS175 3.2 18.6 1.0 CHD A:HEM301 3.5 20.4 1.0 CHA A:HEM301 3.5 16.3 1.0 CHC A:HEM301 3.5 17.4 1.0 CHB A:HEM301 3.5 22.2 1.0 NE1 A:TRP51 4.1 19.5 1.0 C2D A:HEM301 4.3 15.5 1.0 C3C A:HEM301 4.3 18.7 1.0 C2A A:HEM301 4.3 18.8 1.0 C3D A:HEM301 4.3 19.2 1.0 C3A A:HEM301 4.3 17.3 1.0 C2B A:HEM301 4.3 15.2 1.0 C2C A:HEM301 4.3 17.4 1.0 C3B A:HEM301 4.3 14.7 1.0 O A:HOH435 4.3 37.5 1.0 CG A:HIS175 4.3 17.6 1.0 ND1 A:HIS175 4.3 16.6 1.0 CD1 A:TRP51 4.6 20.4 1.0 NE A:ARG48 4.8 20.9 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