Iron in PDB 6h6c: Carbomonoxy Murine Neuroglobin F106A Mutant

The structure of Carbomonoxy Murine Neuroglobin F106A Mutant, PDB code: 6h6c 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)	63.15 / 1.75
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	88.940, 88.940, 110.320, 90.00, 90.00, 120.00
R / Rfree (%)	13.1 / 20.9

The binding sites of Iron atom in the Carbomonoxy Murine Neuroglobin F106A Mutant (pdb code 6h6c). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Carbomonoxy Murine Neuroglobin F106A Mutant, PDB code: 6h6c:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Carbomonoxy 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 Carbomonoxy Murine Neuroglobin F106A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:19.2 occ:0.73 FE A:HEM201 0.0 19.2 0.7 FE A:HEM201 0.9 14.5 0.3 ND A:HEM201 1.2 16.2 0.3 NC A:HEM201 1.9 13.9 0.3 ND A:HEM201 2.0 17.5 0.7 NA A:HEM201 2.0 17.1 0.7 C A:CMO202 2.1 20.2 1.0 NC A:HEM201 2.1 18.7 0.7 NB A:HEM201 2.1 18.6 0.7 NE2 A:HIS96 2.1 21.5 0.7 C1D A:HEM201 2.2 17.6 0.3 NE2 A:HIS96 2.3 25.2 0.3 C4D A:HEM201 2.4 18.3 0.3 NA A:HEM201 2.5 16.3 0.3 C4C A:HEM201 2.6 15.6 0.3 CHD A:HEM201 2.7 15.6 0.3 NB A:HEM201 2.9 14.8 0.3 CD2 A:HIS96 3.0 25.6 0.3 C1D A:HEM201 3.0 17.9 0.7 C4D A:HEM201 3.0 16.4 0.7 C4A A:HEM201 3.0 18.5 0.7 C1A A:HEM201 3.0 15.8 0.7 C4C A:HEM201 3.0 21.5 0.7 C1B A:HEM201 3.0 21.1 0.7 C4B A:HEM201 3.0 18.6 0.7 CD2 A:HIS96 3.1 23.5 0.7 C1C A:HEM201 3.1 18.1 0.7 CE1 A:HIS96 3.1 22.9 0.7 C1C A:HEM201 3.2 13.4 0.3 C1A A:HEM201 3.2 12.7 0.3 O A:CMO202 3.2 24.8 1.0 CHA A:HEM201 3.2 18.2 0.3 CE1 A:HIS96 3.4 26.0 0.3 CHB A:HEM201 3.4 17.5 0.7 CHD A:HEM201 3.4 19.1 0.7 C2D A:HEM201 3.4 19.3 0.3 CHC A:HEM201 3.4 19.3 0.7 CHA A:HEM201 3.5 16.0 0.7 C3D A:HEM201 3.6 19.8 0.3 C4B A:HEM201 3.6 13.0 0.3 C4A A:HEM201 3.7 15.6 0.3 CHC A:HEM201 3.8 14.3 0.3 C3C A:HEM201 3.9 16.8 0.3 C1B A:HEM201 3.9 16.2 0.3 C2C A:HEM201 4.1 14.2 0.3 ND1 A:HIS96 4.2 21.6 0.7 CG A:HIS96 4.2 25.6 0.7 C3A A:HEM201 4.2 19.6 0.7 C2A A:HEM201 4.2 19.6 0.7 C3C A:HEM201 4.2 20.1 0.7 C2C A:HEM201 4.2 21.6 0.7 CG A:HIS96 4.2 26.6 0.3 C2B A:HEM201 4.3 25.4 0.7 C2D A:HEM201 4.3 17.2 0.7 C3D A:HEM201 4.3 17.6 0.7 C3B A:HEM201 4.3 20.8 0.7 CHB A:HEM201 4.3 14.9 0.3 ND1 A:HIS96 4.4 26.2 0.3 C2A A:HEM201 4.5 15.2 0.3 NE2 A:HIS64 4.5 24.0 1.0 C3A A:HEM201 4.7 16.7 0.3 CMD A:HEM201 4.8 16.8 0.3 C3B A:HEM201 5.0 14.9 0.3 CAD A:HEM201 5.0 19.6 0.3

Iron binding site 2 out of 2 in the Carbomonoxy 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 Carbomonoxy Murine Neuroglobin F106A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:14.5 occ:0.27 FE A:HEM201 0.0 14.5 0.3 FE A:HEM201 0.9 19.2 0.7 NC A:HEM201 1.4 18.7 0.7 ND A:HEM201 1.8 17.5 0.7 ND A:HEM201 1.9 16.2 0.3 C A:CMO202 1.9 20.2 1.0 NA A:HEM201 2.0 16.3 0.3 NB A:HEM201 2.1 14.8 0.3 NC A:HEM201 2.1 13.9 0.3 C4C A:HEM201 2.2 21.5 0.7 C1D A:HEM201 2.5 17.9 0.7 NE2 A:HIS96 2.5 21.5 0.7 NB A:HEM201 2.6 18.6 0.7 NE2 A:HIS96 2.6 25.2 0.3 C1C A:HEM201 2.6 18.1 0.7 CHD A:HEM201 2.6 19.1 0.7 NA A:HEM201 2.8 17.1 0.7 O A:CMO202 2.9 24.8 1.0 C1D A:HEM201 2.9 17.6 0.3 C4D A:HEM201 3.0 18.3 0.3 C1A A:HEM201 3.0 12.7 0.3 C4B A:HEM201 3.0 13.0 0.3 C4A A:HEM201 3.0 15.6 0.3 C1B A:HEM201 3.1 16.2 0.3 C4C A:HEM201 3.1 15.6 0.3 C1C A:HEM201 3.1 13.4 0.3 C4D A:HEM201 3.1 16.4 0.7 CE1 A:HIS96 3.3 22.9 0.7 C4B A:HEM201 3.3 18.6 0.7 CHC A:HEM201 3.3 19.3 0.7 CHA A:HEM201 3.4 18.2 0.3 C3C A:HEM201 3.4 20.1 0.7 CHD A:HEM201 3.4 15.6 0.3 CHC A:HEM201 3.5 14.3 0.3 CHB A:HEM201 3.5 14.9 0.3 CE1 A:HIS96 3.5 26.0 0.3 CD2 A:HIS96 3.6 25.6 0.3 C2C A:HEM201 3.6 21.6 0.7 CD2 A:HIS96 3.7 23.5 0.7 C1A A:HEM201 3.7 15.8 0.7 C1B A:HEM201 3.7 21.1 0.7 C2D A:HEM201 3.9 17.2 0.7 C4A A:HEM201 3.9 18.5 0.7 CHA A:HEM201 3.9 16.0 0.7 C3D A:HEM201 4.2 17.6 0.7 CHB A:HEM201 4.2 17.5 0.7 C2D A:HEM201 4.2 19.3 0.3 C3A A:HEM201 4.2 16.7 0.3 C2A A:HEM201 4.2 15.2 0.3 C3D A:HEM201 4.2 19.8 0.3 C3B A:HEM201 4.3 14.9 0.3 C2B A:HEM201 4.3 15.3 0.3 C2C A:HEM201 4.3 14.2 0.3 C3C A:HEM201 4.3 16.8 0.3 ND1 A:HIS96 4.5 21.6 0.7 NE2 A:HIS64 4.5 24.0 1.0 ND1 A:HIS96 4.6 26.2 0.3 C3B A:HEM201 4.6 20.8 0.7 CG A:HIS96 4.7 25.6 0.7 CG A:HIS96 4.7 26.6 0.3 CAC A:HEM201 4.8 20.9 0.7 CG2 A:VAL68 4.8 19.1 1.0 C2B A:HEM201 4.8 25.4 0.7 C2A A:HEM201 5.0 19.6 0.7

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