Iron in PDB 4mpm: Wild-Type Human Neuroglobin

The structure of Wild-Type Human Neuroglobin, PDB code: 4mpm was solved by B.G.Guimaraes, B.Golinelli-Pimpaneau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.24 / 1.74
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	139.150, 48.490, 39.280, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 22.9

The binding sites of Iron atom in the Wild-Type Human Neuroglobin (pdb code 4mpm). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Wild-Type Human Neuroglobin, PDB code: 4mpm:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Wild-Type Human Neuroglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Wild-Type Human Neuroglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:12.6 occ:1.00 FE A:HEM201 0.0 12.6 1.0 NA A:HEM201 2.0 13.4 1.0 NC A:HEM201 2.0 12.2 1.0 NB A:HEM201 2.0 12.7 1.0 ND A:HEM201 2.0 12.8 1.0 NE2 A:HIS64 2.0 13.2 1.0 NE2 A:HIS96 2.1 16.2 1.0 C4B A:HEM201 3.0 12.9 1.0 C1B A:HEM201 3.0 13.4 1.0 C4D A:HEM201 3.0 13.5 1.0 C4A A:HEM201 3.0 13.8 1.0 C1C A:HEM201 3.0 12.2 1.0 C1D A:HEM201 3.0 13.0 1.0 C4C A:HEM201 3.0 12.5 1.0 C1A A:HEM201 3.0 13.9 1.0 CD2 A:HIS64 3.0 13.7 1.0 CD2 A:HIS96 3.0 16.9 1.0 CE1 A:HIS64 3.0 12.4 1.0 CE1 A:HIS96 3.1 16.0 1.0 CHB A:HEM201 3.3 14.1 1.0 CHC A:HEM201 3.4 13.1 1.0 CHA A:HEM201 3.4 14.2 1.0 CHD A:HEM201 3.4 13.3 1.0 CG A:HIS64 4.2 11.3 1.0 ND1 A:HIS64 4.2 12.1 1.0 CG A:HIS96 4.2 15.3 1.0 ND1 A:HIS96 4.2 16.7 1.0 C2B A:HEM201 4.2 13.7 1.0 C3A A:HEM201 4.2 14.8 1.0 C3B A:HEM201 4.3 13.6 1.0 C2C A:HEM201 4.3 12.8 1.0 C2A A:HEM201 4.3 14.9 1.0 C3D A:HEM201 4.3 14.2 1.0 C3C A:HEM201 4.3 12.7 1.0 C2D A:HEM201 4.3 13.6 1.0 CG2 A:VAL68 4.9 10.3 1.0

Iron binding site 2 out of 2 in the Wild-Type Human Neuroglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Wild-Type Human Neuroglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:10.3 occ:1.00 FE B:HEM201 0.0 10.3 1.0 NA B:HEM201 1.9 10.7 1.0 ND B:HEM201 2.0 10.3 1.0 NC B:HEM201 2.0 10.2 1.0 NB B:HEM201 2.0 10.1 1.0 NE2 B:HIS96 2.1 13.9 1.0 NE2 B:HIS64 2.1 12.6 1.0 C4D B:HEM201 3.0 10.8 1.0 C1B B:HEM201 3.0 10.6 1.0 C1A B:HEM201 3.0 11.0 1.0 C4C B:HEM201 3.0 10.4 1.0 C1D B:HEM201 3.0 10.6 1.0 C4B B:HEM201 3.0 10.4 1.0 C4A B:HEM201 3.0 10.8 1.0 C1C B:HEM201 3.0 10.2 1.0 CD2 B:HIS96 3.1 13.2 1.0 CE1 B:HIS96 3.1 13.8 1.0 CD2 B:HIS64 3.1 13.2 1.0 CE1 B:HIS64 3.1 12.1 1.0 CHA B:HEM201 3.3 11.3 1.0 CHB B:HEM201 3.4 11.1 1.0 CHD B:HEM201 3.4 11.1 1.0 CHC B:HEM201 3.4 10.8 1.0 CG B:HIS96 4.2 12.8 1.0 ND1 B:HIS96 4.2 13.9 1.0 CG B:HIS64 4.2 11.8 1.0 C2A B:HEM201 4.2 11.7 1.0 C3A B:HEM201 4.2 11.6 1.0 C3D B:HEM201 4.2 11.4 1.0 ND1 B:HIS64 4.3 13.0 1.0 C2B B:HEM201 4.3 10.8 1.0 C2D B:HEM201 4.3 11.1 1.0 C3C B:HEM201 4.3 10.8 1.0 C2C B:HEM201 4.3 10.8 1.0 C3B B:HEM201 4.3 10.9 1.0 CG2 B:VAL68 4.9 9.3 1.0

B.G.Guimaraes, D.Hamdane, C.Lechauve, M.C.Marden, B.Golinelli-Pimpaneau. The Crystal Structure of Wild-Type Human Brain Neuroglobin Reveals Flexibility of the Disulfide Bond That Regulates Oxygen Affinity. Acta Crystallogr.,Sect.D V. 70 1005 2014.
ISSN: ISSN 0907-4449
PubMed: 24699645
DOI: 10.1107/S1399004714000078