Iron in PDB 6g5t: Myoglobin H64V/V68A in the Resting State, 1.5 Angstrom Resolution

The structure of Myoglobin H64V/V68A in the Resting State, 1.5 Angstrom Resolution, PDB code: 6g5t 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)	40.27 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.987, 47.232, 77.026, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 19.8

The binding sites of Iron atom in the Myoglobin H64V/V68A in the Resting State, 1.5 Angstrom Resolution (pdb code 6g5t). 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 Myoglobin H64V/V68A in the Resting State, 1.5 Angstrom Resolution, PDB code: 6g5t:

Iron binding site 1 out of 1 in the Myoglobin H64V/V68A in the Resting State, 1.5 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Myoglobin H64V/V68A in the Resting State, 1.5 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:16.2 occ:0.90 FE A:HEM201 0.0 16.2 0.9 NA A:HEM201 2.0 17.2 0.9 NB A:HEM201 2.0 15.8 0.9 ND A:HEM201 2.0 16.6 0.9 NC A:HEM201 2.0 15.3 0.9 NE2 A:HIS93 2.2 15.4 1.0 O1 A:EDO202 2.3 18.0 0.7 C1A A:HEM201 3.0 19.5 0.9 C4A A:HEM201 3.0 15.5 0.9 CE1 A:HIS93 3.0 21.6 1.0 C4D A:HEM201 3.0 16.6 0.9 C1D A:HEM201 3.1 16.1 0.9 C1B A:HEM201 3.1 15.4 0.9 C4B A:HEM201 3.1 15.0 0.9 C4C A:HEM201 3.1 15.7 0.9 C1C A:HEM201 3.1 15.0 0.9 CD2 A:HIS93 3.2 17.8 1.0 C1 A:EDO202 3.3 21.3 0.7 CHA A:HEM201 3.4 16.9 0.9 CHB A:HEM201 3.4 13.9 0.9 CHD A:HEM201 3.4 17.3 0.9 CHC A:HEM201 3.4 15.0 0.9 O2 A:EDO202 4.2 26.0 0.7 ND1 A:HIS93 4.2 19.7 1.0 C2A A:HEM201 4.2 15.1 0.9 C3A A:HEM201 4.2 15.5 0.9 O A:HOH338 4.3 24.0 1.0 C2D A:HEM201 4.3 24.4 0.9 C3D A:HEM201 4.3 20.0 0.9 C2B A:HEM201 4.3 16.1 0.9 C3B A:HEM201 4.3 16.2 0.9 C3C A:HEM201 4.3 16.2 0.9 C2C A:HEM201 4.3 16.1 0.9 CG A:HIS93 4.3 22.0 1.0 C2 A:EDO202 4.4 31.1 0.7 CD2 A:HIS97 5.0 17.8 1.0

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: ISSN 2520-1158
DOI: 10.1038/S41929-018-0105-6