Iron in PDB 6f1a: Structure of Mb Nmh H64V, V68A Mutant Complex with Eda Incubated at Room Temperature For 20 Min

The structure of Structure of Mb Nmh H64V, V68A Mutant Complex with Eda Incubated at Room Temperature For 20 Min, PDB code: 6f1a 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)	40.67 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.817, 47.734, 77.673, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 27.3

The binding sites of Iron atom in the Structure of Mb Nmh H64V, V68A Mutant Complex with Eda Incubated at Room Temperature For 20 Min (pdb code 6f1a). 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 Structure of Mb Nmh H64V, V68A Mutant Complex with Eda Incubated at Room Temperature For 20 Min, PDB code: 6f1a:

Iron binding site 1 out of 1 in the Structure of Mb Nmh H64V, V68A Mutant Complex with Eda Incubated at Room Temperature For 20 Min


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Mb Nmh H64V, V68A Mutant Complex with Eda Incubated at Room Temperature For 20 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:17.2 occ:0.90 FE A:HEM202 0.0 17.2 0.9 ND A:HEM202 1.8 19.5 0.9 NA A:HEM202 1.9 21.6 0.9 NB A:HEM202 2.1 13.1 0.9 NC A:HEM202 2.1 16.0 0.9 NE2 A:MHS93 2.4 14.3 1.0 C4D A:HEM202 2.8 24.1 0.9 C1D A:HEM202 2.8 21.1 0.9 O2 A:EEE201 2.8 15.2 0.7 C1 A:EEE201 2.9 16.8 0.7 O1 A:EEE201 2.9 20.5 0.7 C1A A:HEM202 2.9 25.6 0.9 C1B A:HEM202 3.0 12.3 0.9 C4A A:HEM202 3.0 15.1 0.9 C4C A:HEM202 3.0 17.7 0.9 C4B A:HEM202 3.0 12.0 0.9 C1C A:HEM202 3.1 17.9 0.9 CHA A:HEM202 3.3 22.6 0.9 CE1 A:MHS93 3.3 14.0 1.0 CHD A:HEM202 3.3 16.3 0.9 CHB A:HEM202 3.4 12.1 0.9 CD2 A:MHS93 3.4 18.0 1.0 CHC A:HEM202 3.5 12.3 0.9 C3 A:EEE201 3.7 16.0 0.7 C2 A:EEE201 3.9 21.1 0.7 C2D A:HEM202 4.0 37.3 0.9 C3D A:HEM202 4.0 37.7 0.9 C2A A:HEM202 4.1 22.9 0.9 C3A A:HEM202 4.1 16.8 0.9 C2B A:HEM202 4.2 12.8 0.9 C3C A:HEM202 4.2 14.1 0.9 C3B A:HEM202 4.3 11.3 0.9 C2C A:HEM202 4.3 15.3 0.9 ND1 A:MHS93 4.5 14.4 1.0 CG A:MHS93 4.6 21.7 1.0 C4 A:EEE201 4.6 17.6 0.7

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