Iron in PDB 6h6j: Carbomonoxy Murine Neuroglobin Gly-Loop Mutant

The structure of Carbomonoxy Murine Neuroglobin Gly-Loop Mutant, PDB code: 6h6j 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)	38.64 / 2.60
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.859, 74.859, 77.229, 90.00, 90.00, 120.00
R / Rfree (%)	19.4 / 24.6

The binding sites of Iron atom in the Carbomonoxy Murine Neuroglobin Gly-Loop Mutant (pdb code 6h6j). 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 Gly-Loop Mutant, PDB code: 6h6j:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Carbomonoxy Murine Neuroglobin Gly-Loop 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 Gly-Loop Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:30.5 occ:0.40 FE A:HEM201 0.0 30.5 0.4 FE A:HEM201 0.2 30.2 0.6 NA A:HEM201 1.9 31.9 0.6 C A:CMO202 1.9 28.4 0.4 ND A:HEM201 1.9 31.1 0.4 NB A:HEM201 1.9 29.4 0.6 NA A:HEM201 2.0 32.0 0.4 NE2 A:HIS95 2.0 36.1 1.0 ND A:HEM201 2.0 30.7 0.6 NB A:HEM201 2.1 30.7 0.4 NC A:HEM201 2.1 29.3 0.4 NC A:HEM201 2.2 28.3 0.6 NE2 A:HIS63 2.5 33.0 0.6 O A:CMO202 2.6 27.3 0.4 C1B A:HEM201 2.8 31.3 0.6 C4A A:HEM201 2.9 33.0 0.6 C1D A:HEM201 2.9 30.4 0.4 C4D A:HEM201 2.9 31.9 0.4 C1A A:HEM201 2.9 33.9 0.6 CE1 A:HIS95 2.9 33.6 1.0 C4B A:HEM201 2.9 30.0 0.6 C1A A:HEM201 3.0 33.1 0.4 C4D A:HEM201 3.0 32.0 0.6 C1B A:HEM201 3.0 32.0 0.4 C4A A:HEM201 3.0 32.7 0.4 CD2 A:HIS95 3.0 36.4 1.0 C4C A:HEM201 3.0 29.7 0.4 C4B A:HEM201 3.0 31.2 0.4 C1D A:HEM201 3.1 29.8 0.6 C1C A:HEM201 3.1 30.0 0.4 C1C A:HEM201 3.2 29.2 0.6 C4C A:HEM201 3.2 29.0 0.6 CHB A:HEM201 3.2 30.9 0.6 CD2 A:HIS63 3.3 32.5 0.6 CHA A:HEM201 3.4 32.8 0.4 CHA A:HEM201 3.4 33.4 0.6 CHD A:HEM201 3.4 30.0 0.4 CHB A:HEM201 3.4 31.5 0.4 CHC A:HEM201 3.4 29.1 0.6 CHC A:HEM201 3.5 30.3 0.4 CE1 A:HIS63 3.5 33.0 0.6 CHD A:HEM201 3.6 29.4 0.6 C3A A:HEM201 4.1 33.9 0.6 ND1 A:HIS95 4.1 34.6 1.0 C2A A:HEM201 4.1 36.2 0.6 C2B A:HEM201 4.1 31.9 0.6 CG A:HIS95 4.1 37.7 1.0 C3B A:HEM201 4.2 31.1 0.6 C2D A:HEM201 4.2 30.9 0.4 C3D A:HEM201 4.2 32.2 0.4 C2A A:HEM201 4.2 34.8 0.4 C3A A:HEM201 4.2 33.5 0.4 C3C A:HEM201 4.2 29.5 0.4 C2B A:HEM201 4.2 32.5 0.4 C2C A:HEM201 4.3 30.4 0.4 C3B A:HEM201 4.3 32.2 0.4 C3D A:HEM201 4.3 32.4 0.6 C2D A:HEM201 4.3 30.5 0.6 C2C A:HEM201 4.4 29.8 0.6 C3C A:HEM201 4.4 28.7 0.6 CG A:HIS63 4.5 33.2 0.6 ND1 A:HIS63 4.6 34.7 0.6 CG2 A:VAL67 4.7 27.9 1.0

Iron binding site 2 out of 2 in the Carbomonoxy Murine Neuroglobin Gly-Loop 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 Gly-Loop Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:30.2 occ:0.60 FE A:HEM201 0.0 30.2 0.6 FE A:HEM201 0.2 30.5 0.4 ND A:HEM201 1.8 31.1 0.4 C A:CMO202 1.9 28.4 0.4 ND A:HEM201 1.9 30.7 0.6 NC A:HEM201 2.0 29.3 0.4 NA A:HEM201 2.0 31.9 0.6 NE2 A:HIS95 2.0 36.1 1.0 NB A:HEM201 2.1 29.4 0.6 NC A:HEM201 2.1 28.3 0.6 NA A:HEM201 2.1 32.0 0.4 NB A:HEM201 2.2 30.7 0.4 NE2 A:HIS63 2.5 33.0 0.6 O A:CMO202 2.7 27.3 0.4 C1D A:HEM201 2.7 30.4 0.4 C4D A:HEM201 2.8 31.9 0.4 C4C A:HEM201 2.9 29.7 0.4 CE1 A:HIS95 2.9 33.6 1.0 C4D A:HEM201 2.9 32.0 0.6 C1D A:HEM201 2.9 29.8 0.6 C1A A:HEM201 3.0 33.9 0.6 C4B A:HEM201 3.0 30.0 0.6 C1B A:HEM201 3.0 31.3 0.6 C4A A:HEM201 3.0 33.0 0.6 C1C A:HEM201 3.0 30.0 0.4 C4C A:HEM201 3.0 29.0 0.6 C1A A:HEM201 3.1 33.1 0.4 C1C A:HEM201 3.1 29.2 0.6 CD2 A:HIS95 3.1 36.4 1.0 C4B A:HEM201 3.1 31.2 0.4 C1B A:HEM201 3.2 32.0 0.4 CHD A:HEM201 3.2 30.0 0.4 C4A A:HEM201 3.2 32.7 0.4 CD2 A:HIS63 3.3 32.5 0.6 CHA A:HEM201 3.4 33.4 0.6 CHD A:HEM201 3.4 29.4 0.6 CHA A:HEM201 3.4 32.8 0.4 CHB A:HEM201 3.4 30.9 0.6 CHC A:HEM201 3.4 29.1 0.6 CHC A:HEM201 3.5 30.3 0.4 CE1 A:HIS63 3.5 33.0 0.6 CHB A:HEM201 3.6 31.5 0.4 C2D A:HEM201 4.0 30.9 0.4 ND1 A:HIS95 4.1 34.6 1.0 C3D A:HEM201 4.1 32.2 0.4 C3C A:HEM201 4.1 29.5 0.4 C2C A:HEM201 4.2 30.4 0.4 C3D A:HEM201 4.2 32.4 0.6 C2A A:HEM201 4.2 36.2 0.6 C2D A:HEM201 4.2 30.5 0.6 CG A:HIS95 4.2 37.7 1.0 C3A A:HEM201 4.2 33.9 0.6 C2B A:HEM201 4.3 31.9 0.6 C3C A:HEM201 4.3 28.7 0.6 C3B A:HEM201 4.3 31.1 0.6 C2A A:HEM201 4.3 34.8 0.4 C2C A:HEM201 4.3 29.8 0.6 C3A A:HEM201 4.3 33.5 0.4 C3B A:HEM201 4.4 32.2 0.4 C2B A:HEM201 4.4 32.5 0.4 CG A:HIS63 4.5 33.2 0.6 ND1 A:HIS63 4.6 34.7 0.6 CG2 A:VAL67 4.6 27.9 1.0

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