Manganese in PDB 3wi8: Crystal Structure of Horse Heart Myoglobin Reconstituted with Manganese Porphycene

The structure of Crystal Structure of Horse Heart Myoglobin Reconstituted with Manganese Porphycene, PDB code: 3wi8 was solved by E.Mizohata, K.Oohora, Y.Kihira, T.Inoue, T.Hayashi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.00 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.828, 28.657, 63.744, 90.00, 105.18, 90.00
R / Rfree (%)	18.6 / 25.3

The binding sites of Manganese atom in the Crystal Structure of Horse Heart Myoglobin Reconstituted with Manganese Porphycene (pdb code 3wi8). 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 Crystal Structure of Horse Heart Myoglobin Reconstituted with Manganese Porphycene, PDB code: 3wi8:

Manganese binding site 1 out of 1 in the Crystal Structure of Horse Heart Myoglobin Reconstituted with Manganese Porphycene


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Horse Heart Myoglobin Reconstituted with Manganese Porphycene within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:61.1 occ:1.00 MN A:HNN201 0.0 61.1 1.0 NB A:HNN201 2.0 63.2 1.0 NC A:HNN201 2.0 62.2 1.0 ND A:HNN201 2.0 61.2 1.0 NA A:HNN201 2.1 62.7 1.0 NE2 A:HIS93 2.6 61.6 1.0 O A:HOH1001 2.8 33.6 0.5 C1B A:HNN201 2.8 63.7 1.0 C4C A:HNN201 2.8 63.3 1.0 C1D A:HNN201 2.9 61.8 1.0 C4A A:HNN201 2.9 61.8 1.0 C4B A:HNN201 3.1 63.4 1.0 C4D A:HNN201 3.1 61.4 1.0 C1C A:HNN201 3.1 61.5 1.0 C1A A:HNN201 3.2 62.1 1.0 CE1 A:HIS93 3.3 62.8 1.0 CD2 A:HIS93 3.7 62.5 1.0 CB1 A:HNN201 3.7 61.1 1.0 CD1 A:HNN201 3.7 62.5 1.0 CB2 A:HNN201 3.7 60.9 1.0 CD2 A:HNN201 3.8 61.7 1.0 C2B A:HNN201 4.1 65.2 1.0 C3C A:HNN201 4.1 63.9 1.0 C2D A:HNN201 4.1 61.1 1.0 C3A A:HNN201 4.2 62.5 1.0 C3B A:HNN201 4.2 64.3 1.0 C3D A:HNN201 4.2 62.4 1.0 C2C A:HNN201 4.2 63.0 1.0 C2A A:HNN201 4.3 62.1 1.0 CG2 A:VAL68 4.4 40.1 1.0 ND1 A:HIS93 4.5 63.0 1.0 CG A:HIS93 4.7 61.7 1.0 NE2 A:HIS64 4.7 42.6 0.5 CE1 A:HIS64 4.7 42.7 0.5

K.Oohora, Y.Kihira, E.Mizohata, T.Inoue, T.Hayashi. C(SP3)-H Bond Hydroxylation Catalyzed By Myoglobin Reconstituted with Manganese Porphycene. J.Am.Chem.Soc. V. 135 17282 2013.
ISSN: ISSN 0002-7863
PubMed: 24191678
DOI: 10.1021/JA409404K