Iron in PDB 2vry: Mouse Neuroglobin with Heme Iron in the Reduced Ferrous State

The structure of Mouse Neuroglobin with Heme Iron in the Reduced Ferrous State, PDB code: 2vry was solved by A.Arcovito, T.Moschetti, P.D'angelo, G.Mancini, B.Vallone, M.Brunori, S.Della Longa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.25 / 1.87
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	87.920, 87.920, 113.646, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 21.7

The binding sites of Iron atom in the Mouse Neuroglobin with Heme Iron in the Reduced Ferrous State (pdb code 2vry). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Mouse Neuroglobin with Heme Iron in the Reduced Ferrous State, PDB code: 2vry:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Mouse Neuroglobin with Heme Iron in the Reduced Ferrous State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mouse Neuroglobin with Heme Iron in the Reduced Ferrous State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1150 b:26.9 occ:0.70 FE A:HEM1150 0.0 26.9 0.7 FE A:HEM1150 0.9 14.5 0.3 NB A:HEM1150 1.7 12.4 0.3 NE2 A:HIS64 1.8 24.1 0.3 NE2 A:HIS64 1.9 26.1 0.7 NA A:HEM1150 2.0 13.2 0.3 NC A:HEM1150 2.0 26.4 0.7 NA A:HEM1150 2.0 23.2 0.7 NB A:HEM1150 2.1 25.2 0.7 ND A:HEM1150 2.1 24.2 0.7 CE1 A:HIS64 2.3 24.6 0.3 NE2 A:HIS96 2.3 27.9 0.3 NE2 A:HIS96 2.4 26.3 0.7 NC A:HEM1150 2.6 13.8 0.3 C1B A:HEM1150 2.6 13.1 0.3 C4A A:HEM1150 2.7 11.5 0.3 ND A:HEM1150 2.7 15.2 0.3 CD2 A:HIS64 2.9 26.4 0.7 C4B A:HEM1150 2.9 14.2 0.3 CHB A:HEM1150 2.9 12.3 0.3 CE1 A:HIS64 2.9 25.3 0.7 C1C A:HEM1150 3.0 27.2 0.7 C4C A:HEM1150 3.0 27.7 0.7 CD2 A:HIS64 3.0 24.9 0.3 C4A A:HEM1150 3.1 25.9 0.7 C1A A:HEM1150 3.1 25.5 0.7 C1A A:HEM1150 3.1 12.7 0.3 C1B A:HEM1150 3.1 25.9 0.7 C4B A:HEM1150 3.1 25.8 0.7 C1D A:HEM1150 3.1 26.7 0.7 C4D A:HEM1150 3.1 24.3 0.7 CE1 A:HIS96 3.2 28.6 0.3 CE1 A:HIS96 3.2 27.8 0.7 CHC A:HEM1150 3.4 25.8 0.7 C1C A:HEM1150 3.4 15.2 0.3 CD2 A:HIS96 3.4 28.9 0.7 CHD A:HEM1150 3.4 25.6 0.7 CHB A:HEM1150 3.5 25.1 0.7 CD2 A:HIS96 3.5 29.1 0.3 CHA A:HEM1150 3.5 24.4 0.7 CHC A:HEM1150 3.5 14.4 0.3 C4D A:HEM1150 3.5 13.9 0.3 ND1 A:HIS64 3.6 24.8 0.3 C4C A:HEM1150 3.6 16.1 0.3 C1D A:HEM1150 3.7 15.7 0.3 CHA A:HEM1150 3.7 14.5 0.3 C2B A:HEM1150 3.8 12.8 0.3 CG A:HIS64 3.9 25.0 0.3 C3A A:HEM1150 4.0 11.9 0.3 C3B A:HEM1150 4.0 13.4 0.3 ND1 A:HIS64 4.0 26.1 0.7 CG A:HIS64 4.0 24.8 0.7 CHD A:HEM1150 4.0 14.9 0.3 C2A A:HEM1150 4.1 9.4 0.3 C2C A:HEM1150 4.2 29.7 0.7 C3C A:HEM1150 4.2 29.3 0.7 C3A A:HEM1150 4.3 24.4 0.7 C2A A:HEM1150 4.3 26.0 0.7 C2B A:HEM1150 4.3 26.6 0.7 C3B A:HEM1150 4.3 27.2 0.7 ND1 A:HIS96 4.4 28.2 0.3 C2D A:HEM1150 4.4 22.9 0.7 ND1 A:HIS96 4.4 27.0 0.7 C3D A:HEM1150 4.4 23.6 0.7 CG2 A:VAL68 4.5 29.1 1.0 CG A:HIS96 4.5 28.8 0.3 CG A:HIS96 4.5 28.2 0.7 C3D A:HEM1150 4.7 15.9 0.3 C2C A:HEM1150 4.7 15.8 0.3 C2D A:HEM1150 4.8 14.8 0.3 C3C A:HEM1150 4.8 15.9 0.3

Iron binding site 2 out of 2 in the Mouse Neuroglobin with Heme Iron in the Reduced Ferrous State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Mouse Neuroglobin with Heme Iron in the Reduced Ferrous State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1150 b:14.5 occ:0.30 FE A:HEM1150 0.0 14.5 0.3 FE A:HEM1150 0.9 26.9 0.7 NA A:HEM1150 1.6 23.2 0.7 NE2 A:HIS96 1.7 27.9 0.3 NE2 A:HIS96 1.7 26.3 0.7 NB A:HEM1150 1.9 25.2 0.7 NB A:HEM1150 2.0 12.4 0.3 NA A:HEM1150 2.1 13.2 0.3 NC A:HEM1150 2.1 13.8 0.3 ND A:HEM1150 2.1 15.2 0.3 NE2 A:HIS64 2.3 24.1 0.3 NE2 A:HIS64 2.5 26.1 0.7 C4A A:HEM1150 2.5 25.9 0.7 NC A:HEM1150 2.6 26.4 0.7 ND A:HEM1150 2.6 24.2 0.7 CD2 A:HIS96 2.7 28.9 0.7 C1B A:HEM1150 2.7 25.9 0.7 CD2 A:HIS96 2.7 29.1 0.3 CE1 A:HIS96 2.8 28.6 0.3 C1A A:HEM1150 2.8 25.5 0.7 CE1 A:HIS96 2.8 27.8 0.7 CE1 A:HIS64 2.9 24.6 0.3 CHB A:HEM1150 2.9 25.1 0.7 C1B A:HEM1150 3.0 13.1 0.3 C4A A:HEM1150 3.0 11.5 0.3 C4B A:HEM1150 3.0 14.2 0.3 C1A A:HEM1150 3.1 12.7 0.3 C4B A:HEM1150 3.1 25.8 0.7 C4C A:HEM1150 3.1 16.1 0.3 C1D A:HEM1150 3.1 15.7 0.3 C4D A:HEM1150 3.1 13.9 0.3 C1C A:HEM1150 3.1 15.2 0.3 C4D A:HEM1150 3.4 24.3 0.7 CHB A:HEM1150 3.4 12.3 0.3 CD2 A:HIS64 3.4 26.4 0.7 C1C A:HEM1150 3.4 27.2 0.7 CHA A:HEM1150 3.4 24.4 0.7 CHC A:HEM1150 3.4 14.4 0.3 CHA A:HEM1150 3.4 14.5 0.3 CHD A:HEM1150 3.4 14.9 0.3 CE1 A:HIS64 3.5 25.3 0.7 CD2 A:HIS64 3.5 24.9 0.3 CHC A:HEM1150 3.6 25.8 0.7 C4C A:HEM1150 3.7 27.7 0.7 C1D A:HEM1150 3.7 26.7 0.7 C3A A:HEM1150 3.8 24.4 0.7 ND1 A:HIS96 3.8 28.2 0.3 CG A:HIS96 3.8 28.8 0.3 CG A:HIS96 3.8 28.2 0.7 ND1 A:HIS96 3.9 27.0 0.7 C2A A:HEM1150 3.9 26.0 0.7 C2B A:HEM1150 4.0 26.6 0.7 CHD A:HEM1150 4.1 25.6 0.7 ND1 A:HIS64 4.1 24.8 0.3 C3B A:HEM1150 4.2 27.2 0.7 C2B A:HEM1150 4.2 12.8 0.3 C3B A:HEM1150 4.3 13.4 0.3 C3A A:HEM1150 4.3 11.9 0.3 C2A A:HEM1150 4.3 9.4 0.3 C2D A:HEM1150 4.3 14.8 0.3 C3D A:HEM1150 4.3 15.9 0.3 C3C A:HEM1150 4.3 15.9 0.3 C2C A:HEM1150 4.3 15.8 0.3 CG A:HIS64 4.5 25.0 0.3 CG A:HIS64 4.6 24.8 0.7 ND1 A:HIS64 4.6 26.1 0.7 C3D A:HEM1150 4.7 23.6 0.7 C2C A:HEM1150 4.7 29.7 0.7 C3C A:HEM1150 4.8 29.3 0.7 C2D A:HEM1150 4.8 22.9 0.7

A.Arcovito, T.Moschetti, P.D'angelo, G.Mancini, B.Vallone, M.Brunori, S.Della Longa. An X-Ray Diffraction and X-Ray Absorption Spectroscopy Joint Study of Neuroglobin. Arch.Biochem.Biophys. V. 475 7 2008.
ISSN: ISSN 0003-9861
PubMed: 18406335
DOI: 10.1016/J.ABB.2008.03.026