Iron in PDB 6g5a: Heme-Carbene Complex in Myoglobin H64V/V68A Containing An N- Methylhistidine As the Proximal Ligand, 1.48 Angstrom Resolution

The structure of Heme-Carbene Complex in Myoglobin H64V/V68A Containing An N- Methylhistidine As the Proximal Ligand, 1.48 Angstrom Resolution, PDB code: 6g5a was solved by M.Tinzl, T.Hayashi, T.Mori, D.Hilvert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.79 / 1.48
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.873, 47.981, 77.426, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 23.7

The binding sites of Iron atom in the Heme-Carbene Complex in Myoglobin H64V/V68A Containing An N- Methylhistidine As the Proximal Ligand, 1.48 Angstrom Resolution (pdb code 6g5a). 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 Heme-Carbene Complex in Myoglobin H64V/V68A Containing An N- Methylhistidine As the Proximal Ligand, 1.48 Angstrom Resolution, PDB code: 6g5a:

Iron binding site 1 out of 1 in the Heme-Carbene Complex in Myoglobin H64V/V68A Containing An N- Methylhistidine As the Proximal Ligand, 1.48 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Heme-Carbene Complex in Myoglobin H64V/V68A Containing An N- Methylhistidine As the Proximal Ligand, 1.48 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:20.5 occ:1.00 FE A:HEM201 0.0 20.5 1.0 C2 A:EEE202 1.9 24.4 0.9 NA A:HEM201 2.0 20.7 1.0 ND A:HEM201 2.0 24.2 1.0 NC A:HEM201 2.0 18.6 1.0 NB A:HEM201 2.1 19.8 1.0 NE2 A:MHS93 2.2 19.1 1.0 C4D A:HEM201 3.0 24.8 1.0 C1A A:HEM201 3.0 24.7 1.0 C1B A:HEM201 3.0 18.0 1.0 C1D A:HEM201 3.0 21.6 1.0 C4A A:HEM201 3.0 20.3 1.0 CE1 A:MHS93 3.0 20.4 1.0 C4C A:HEM201 3.1 19.0 1.0 C1 A:EEE202 3.1 23.9 0.9 C4B A:HEM201 3.1 19.6 1.0 C1C A:HEM201 3.1 20.3 1.0 CD2 A:MHS93 3.2 22.1 1.0 CHB A:HEM201 3.4 19.5 1.0 CHA A:HEM201 3.4 21.8 1.0 CHD A:HEM201 3.4 24.2 1.0 O2 A:EEE202 3.5 26.1 0.9 CHC A:HEM201 3.5 19.2 1.0 O1 A:EEE202 4.0 24.1 0.9 ND1 A:MHS93 4.2 17.5 1.0 C2A A:HEM201 4.2 25.6 1.0 C2B A:HEM201 4.2 17.4 1.0 C3A A:HEM201 4.2 25.9 1.0 C3D A:HEM201 4.2 29.2 1.0 C2D A:HEM201 4.3 26.1 1.0 C3B A:HEM201 4.3 19.0 1.0 C3C A:HEM201 4.3 20.7 1.0 C2C A:HEM201 4.3 20.0 1.0 CG A:MHS93 4.3 22.4 1.0 O A:HOH413 4.5 35.4 1.0 C3 A:EEE202 4.8 26.6 0.9

T.Hayashi, M.Tinzl, T.Mori, U.Krengel, J.Proppe, J.Soetbeer, D.Klose, G.Jeschke, M.Reiher, D.Hilvert. Capture and Characterization of A Reactive Haem-Carbenoid Complex in An Artificial Metalloenzyme Nat Catal V. 1 2018.
ISSN: ESSN 2520-1158
DOI: 10.1038/S41929-018-0105-6