Iron in PDB 6i3t: Crystal Structure of Murine Neuroglobin Bound to Co at 40 K.

The structure of Crystal Structure of Murine Neuroglobin Bound to Co at 40 K., PDB code: 6i3t was solved by C.Savino, L.C.Montemiglio, C.Ardiccioni, C.Exertier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.04 / 2.00
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	88.056, 88.056, 110.156, 90.00, 90.00, 120.00
R / Rfree (%)	16.7 / 22.2

The binding sites of Iron atom in the Crystal Structure of Murine Neuroglobin Bound to Co at 40 K. (pdb code 6i3t). 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 Bound to Co at 40 K., PDB code: 6i3t:

Iron binding site 1 out of 1 in the Crystal Structure of Murine Neuroglobin Bound to Co at 40 K.


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 Bound to Co at 40 K. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:19.5 occ:1.00 FE A:HEM201 0.0 19.5 1.0 C A:CMO202 1.9 19.8 0.9 NE2 A:HIS96 1.9 23.1 1.0 NA A:HEM201 2.0 20.4 1.0 NC A:HEM201 2.0 18.4 1.0 ND A:HEM201 2.1 17.9 1.0 NB A:HEM201 2.1 19.0 1.0 CE1 A:HIS96 2.8 21.2 1.0 O A:CMO202 2.9 19.1 0.9 C1A A:HEM201 3.0 20.6 1.0 CD2 A:HIS96 3.0 23.0 1.0 C4C A:HEM201 3.1 16.9 1.0 C4A A:HEM201 3.1 21.1 1.0 C1C A:HEM201 3.1 18.4 1.0 C4D A:HEM201 3.1 18.8 1.0 C4B A:HEM201 3.1 19.9 1.0 C1D A:HEM201 3.1 14.9 1.0 C1B A:HEM201 3.1 20.8 1.0 CHA A:HEM201 3.4 21.6 1.0 CHC A:HEM201 3.4 18.0 1.0 CHD A:HEM201 3.5 16.7 1.0 CHB A:HEM201 3.5 19.5 1.0 ND1 A:HIS96 4.0 22.7 1.0 CG A:HIS96 4.1 25.8 1.0 C2A A:HEM201 4.2 21.0 1.0 C3C A:HEM201 4.2 18.4 1.0 C3A A:HEM201 4.3 20.5 1.0 C2C A:HEM201 4.3 18.9 1.0 C3B A:HEM201 4.3 20.4 1.0 C3D A:HEM201 4.3 18.2 1.0 C2B A:HEM201 4.3 20.2 1.0 C2D A:HEM201 4.3 17.1 1.0 NE2 A:HIS64 4.4 20.4 1.0 CG2 A:VAL68 4.9 12.7 1.0 CE1 A:HIS64 5.0 18.1 1.0

C.Ardiccioni, A.Arcovito, S.Della Longa, P.Van Der Linden, D.Bourgeois, M.Weik, L.C.Montemiglio, C.Savino, G.Avella, C.Exertier, P.Carpentier, T.Prange, M.Brunori, N.Colloc'h, B.Vallone. Ligand Pathways in Neuroglobin Revealed By Low-Temperature Photodissociation and Docking Experiments. Iucrj V. 6 832 2019.
ISSN: ESSN 2052-2525
PubMed: 31576217
DOI: 10.1107/S2052252519008157