Iron in PDB 6h5z: Ferric Murine Neuroglobin F106A Mutant

The structure of Ferric Murine Neuroglobin F106A Mutant, PDB code: 6h5z was solved by C.Exertier, B.Vallone, C.Savino, I.Freda, L.C.Montemiglio, G.Cerutti, A.Scaglione, G.Parisi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.54 / 1.80
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	87.733, 87.733, 113.625, 90.00, 90.00, 120.00
R / Rfree (%)	15.2 / 20.9

The binding sites of Iron atom in the Ferric Murine Neuroglobin F106A Mutant (pdb code 6h5z). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ferric Murine Neuroglobin F106A Mutant, PDB code: 6h5z:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ferric Murine Neuroglobin F106A Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferric Murine Neuroglobin F106A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:26.2 occ:0.75 FE A:HEM201 0.0 26.2 0.8 FE A:HEM201 1.0 17.8 0.2 NB A:HEM201 1.6 13.7 0.2 NA A:HEM201 1.8 15.7 0.2 NE2 A:HIS64 1.9 25.0 0.2 NA A:HEM201 2.0 25.3 0.8 ND A:HEM201 2.0 25.2 0.8 NC A:HEM201 2.0 25.1 0.8 NE2 A:HIS64 2.1 27.2 0.8 NB A:HEM201 2.1 24.0 0.8 NE2 A:HIS96 2.3 27.1 0.8 NE2 A:HIS96 2.3 35.2 0.2 C1B A:HEM201 2.3 12.4 0.2 C4A A:HEM201 2.4 14.3 0.2 CHB A:HEM201 2.7 12.6 0.2 NC A:HEM201 2.7 18.3 0.2 ND A:HEM201 2.7 17.3 0.2 CE1 A:HIS64 2.7 22.9 0.2 C4B A:HEM201 2.8 13.4 0.2 CE1 A:HIS64 3.0 26.8 0.8 C4D A:HEM201 3.0 22.8 0.8 C1D A:HEM201 3.0 21.1 0.8 CD2 A:HIS64 3.0 20.6 0.2 C4C A:HEM201 3.0 22.9 0.8 C1C A:HEM201 3.0 25.3 0.8 C1A A:HEM201 3.0 25.1 0.8 C4A A:HEM201 3.0 24.4 0.8 C4B A:HEM201 3.0 24.9 0.8 C1B A:HEM201 3.1 27.0 0.8 C1A A:HEM201 3.1 16.4 0.2 CD2 A:HIS64 3.1 27.2 0.8 CE1 A:HIS96 3.1 33.2 0.2 CE1 A:HIS96 3.2 29.6 0.8 CD2 A:HIS96 3.3 33.6 0.8 CD2 A:HIS96 3.3 39.4 0.2 CHC A:HEM201 3.4 23.9 0.8 C1C A:HEM201 3.4 16.8 0.2 CHD A:HEM201 3.4 25.3 0.8 CHA A:HEM201 3.4 26.2 0.8 CHB A:HEM201 3.5 21.1 0.8 CHC A:HEM201 3.5 14.9 0.2 C4D A:HEM201 3.6 16.4 0.2 C2B A:HEM201 3.6 12.7 0.2 C3A A:HEM201 3.7 14.9 0.2 C4C A:HEM201 3.8 19.4 0.2 C1D A:HEM201 3.8 15.1 0.2 CHA A:HEM201 3.8 17.4 0.2 C3B A:HEM201 3.8 13.7 0.2 ND1 A:HIS64 3.9 23.7 0.2 C2A A:HEM201 4.0 16.8 0.2 CG A:HIS64 4.0 25.4 0.2 ND1 A:HIS64 4.1 23.4 0.8 C3C A:HEM201 4.2 26.4 0.8 C2C A:HEM201 4.2 32.0 0.8 C2A A:HEM201 4.2 26.2 0.8 CG A:HIS64 4.2 28.8 0.8 C3A A:HEM201 4.2 26.2 0.8 CHD A:HEM201 4.2 19.4 0.2 ND1 A:HIS96 4.3 27.6 0.2 C2D A:HEM201 4.3 24.1 0.8 C3D A:HEM201 4.3 22.4 0.8 C2B A:HEM201 4.3 24.9 0.8 ND1 A:HIS96 4.3 26.4 0.8 C3B A:HEM201 4.3 27.9 0.8 CG A:HIS96 4.4 36.6 0.2 CG A:HIS96 4.4 28.6 0.8 CG2 A:VAL68 4.5 30.7 1.0 C2C A:HEM201 4.7 19.2 0.2 CMA A:HEM201 4.8 14.2 0.2 C3C A:HEM201 4.9 22.4 0.2 C3D A:HEM201 4.9 16.6 0.2 CMB A:HEM201 5.0 9.7 0.2 C2D A:HEM201 5.0 16.9 0.2

Iron binding site 2 out of 2 in the Ferric Murine Neuroglobin F106A Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ferric Murine Neuroglobin F106A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:17.8 occ:0.25 FE A:HEM201 0.0 17.8 0.2 FE A:HEM201 1.0 26.2 0.8 NA A:HEM201 1.4 25.3 0.8 NE2 A:HIS96 1.8 27.1 0.8 NE2 A:HIS96 1.9 35.2 0.2 ND A:HEM201 1.9 17.3 0.2 NB A:HEM201 1.9 24.0 0.8 NA A:HEM201 2.0 15.7 0.2 NC A:HEM201 2.1 18.3 0.2 NB A:HEM201 2.1 13.7 0.2 C4A A:HEM201 2.3 24.4 0.8 C1B A:HEM201 2.6 27.0 0.8 NE2 A:HIS64 2.6 27.2 0.8 NE2 A:HIS64 2.6 25.0 0.2 ND A:HEM201 2.6 25.2 0.8 CD2 A:HIS96 2.6 39.4 0.2 C1A A:HEM201 2.6 25.1 0.8 CD2 A:HIS96 2.6 33.6 0.8 CHB A:HEM201 2.7 21.1 0.8 NC A:HEM201 2.9 25.1 0.8 C1D A:HEM201 2.9 15.1 0.2 CE1 A:HIS96 2.9 29.6 0.8 C4D A:HEM201 2.9 16.4 0.2 C4A A:HEM201 3.0 14.3 0.2 C4C A:HEM201 3.0 19.4 0.2 C1A A:HEM201 3.0 16.4 0.2 CE1 A:HIS96 3.0 33.2 0.2 C4B A:HEM201 3.1 24.9 0.8 C1B A:HEM201 3.1 12.4 0.2 C4B A:HEM201 3.1 13.4 0.2 C1C A:HEM201 3.1 16.8 0.2 CE1 A:HIS64 3.1 22.9 0.2 C4D A:HEM201 3.2 22.8 0.8 CHA A:HEM201 3.3 26.2 0.8 CHD A:HEM201 3.4 19.4 0.2 CHA A:HEM201 3.4 17.4 0.2 CHB A:HEM201 3.4 12.6 0.2 C3A A:HEM201 3.5 26.2 0.8 CD2 A:HIS64 3.5 27.2 0.8 CHC A:HEM201 3.5 14.9 0.2 CE1 A:HIS64 3.5 26.8 0.8 CD2 A:HIS64 3.6 20.6 0.2 C2A A:HEM201 3.6 26.2 0.8 C1C A:HEM201 3.7 25.3 0.8 CHC A:HEM201 3.7 23.9 0.8 C1D A:HEM201 3.7 21.1 0.8 CG A:HIS96 3.8 36.6 0.2 CG A:HIS96 3.8 28.6 0.8 C2B A:HEM201 3.9 24.9 0.8 ND1 A:HIS96 3.9 26.4 0.8 C4C A:HEM201 3.9 22.9 0.8 ND1 A:HIS96 4.0 27.6 0.2 C3B A:HEM201 4.1 27.9 0.8 C2D A:HEM201 4.2 16.9 0.2 C3A A:HEM201 4.2 14.9 0.2 C3D A:HEM201 4.2 16.6 0.2 C2A A:HEM201 4.2 16.8 0.2 C3C A:HEM201 4.2 22.4 0.2 ND1 A:HIS64 4.2 23.7 0.2 C2C A:HEM201 4.3 19.2 0.2 CHD A:HEM201 4.3 25.3 0.8 C2B A:HEM201 4.3 12.7 0.2 C3B A:HEM201 4.3 13.7 0.2 CG A:HIS64 4.5 25.4 0.2 CG A:HIS64 4.6 28.8 0.8 ND1 A:HIS64 4.6 23.4 0.8 C3D A:HEM201 4.7 22.4 0.8 CMA A:HEM201 4.8 31.4 0.8 C2D A:HEM201 4.9 24.1 0.8 C2C A:HEM201 4.9 32.0 0.8

C.Exertier, L.Milazzo, I.Freda, L.C.Montemiglio, A.Scaglione, G.Cerutti, G.Parisi, M.Anselmi, G.Smulevich, C.Savino, B.Vallone. Proximal and Distal Control For Ligand Binding in Neuroglobin: Role of the Cd Loop and Evidence For HIS64 Gating. Sci Rep V. 9 5326 2019.
ISSN: ESSN 2045-2322
PubMed: 30926858
DOI: 10.1038/S41598-019-41780-3