Iron in PDB 5eet: Crystal Structure of Murine Neuroglobin at Ambient Pressure

The structure of Crystal Structure of Murine Neuroglobin at Ambient Pressure, PDB code: 5eet was solved by N.Colloc'h, E.Girard, B.Vallone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	88.316, 88.316, 114.457, 90.00, 90.00, 120.00
R / Rfree (%)	14.3 / 18.1

The binding sites of Iron atom in the Crystal Structure of Murine Neuroglobin at Ambient Pressure (pdb code 5eet). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Murine Neuroglobin at Ambient Pressure, PDB code: 5eet:

Iron binding site 1 out of 1 in the Crystal Structure of Murine Neuroglobin at Ambient Pressure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Murine Neuroglobin at Ambient Pressure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:16.1 occ:1.00 FE A:HEM201 0.0 16.1 1.0 NE2 A:HIS64 1.9 14.5 1.0 NA A:HEM201 2.0 14.7 1.0 ND A:HEM201 2.0 16.9 1.0 NE2 A:HIS96 2.0 17.5 1.0 NC A:HEM201 2.0 15.9 1.0 NB A:HEM201 2.1 17.1 1.0 CE1 A:HIS64 2.9 14.2 1.0 CE1 A:HIS96 2.9 18.1 1.0 C1D A:HEM201 3.0 16.6 1.0 C4D A:HEM201 3.0 15.9 1.0 CD2 A:HIS64 3.0 14.4 1.0 C1A A:HEM201 3.0 15.9 1.0 CD2 A:HIS96 3.0 19.3 1.0 C4A A:HEM201 3.0 17.3 1.0 C4B A:HEM201 3.0 17.2 1.0 C4C A:HEM201 3.0 17.6 1.0 C1C A:HEM201 3.0 17.1 1.0 C1B A:HEM201 3.0 17.7 1.0 CHC A:HEM201 3.4 15.7 1.0 CHA A:HEM201 3.4 15.6 1.0 CHB A:HEM201 3.4 17.3 1.0 CHD A:HEM201 3.4 17.7 1.0 ND1 A:HIS64 4.0 13.9 1.0 ND1 A:HIS96 4.1 19.6 1.0 CG A:HIS64 4.1 14.2 1.0 CG A:HIS96 4.1 18.9 1.0 C2A A:HEM201 4.2 16.3 1.0 C3A A:HEM201 4.2 16.7 1.0 C3C A:HEM201 4.2 18.1 1.0 C2C A:HEM201 4.2 19.3 1.0 C2D A:HEM201 4.2 17.7 1.0 C3D A:HEM201 4.2 16.6 1.0 C2B A:HEM201 4.3 19.8 1.0 C3B A:HEM201 4.3 20.5 1.0 CG2 A:VAL68 4.9 16.2 1.0

N.Colloc'h, S.Sacquin-Mora, G.Avella, A.C.Dhaussy, T.Prange, B.Vallone, E.Girard. Determinants of Neuroglobin Plasticity Highlighted By Joint Coarse-Grained Simulations and High Pressure Crystallography. Sci Rep V. 7 1858 2017.
ISSN: ESSN 2045-2322
PubMed: 28500341
DOI: 10.1038/S41598-017-02097-1