Iron in PDB 5mjd: Metngb Under Oxygen at 80 Bar

The structure of Metngb Under Oxygen at 80 Bar, PDB code: 5mjd was solved by T.Prange, N.Colloc'h, P.Carpentier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.70
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	87.819, 87.819, 113.522, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 24.2

The binding sites of Iron atom in the Metngb Under Oxygen at 80 Bar (pdb code 5mjd). 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 Metngb Under Oxygen at 80 Bar, PDB code: 5mjd:

Iron binding site 1 out of 1 in the Metngb Under Oxygen at 80 Bar


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Metngb Under Oxygen at 80 Bar within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:21.7 occ:1.00 FE A:HEM201 0.0 21.7 1.0 NA A:HEM201 1.9 22.3 1.0 ND A:HEM201 2.0 17.7 1.0 NC A:HEM201 2.1 24.5 1.0 NB A:HEM201 2.1 20.3 1.0 NE2 A:HIS64 2.1 20.9 1.0 NE2 A:HIS96 2.2 22.5 1.0 C1D A:HEM201 2.9 19.0 1.0 C4D A:HEM201 3.0 21.6 1.0 C1A A:HEM201 3.0 21.3 1.0 C4A A:HEM201 3.0 23.0 1.0 CE1 A:HIS64 3.0 17.8 1.0 C1B A:HEM201 3.0 24.0 1.0 C4C A:HEM201 3.1 21.2 1.0 C4B A:HEM201 3.1 22.8 1.0 C1C A:HEM201 3.1 22.6 1.0 CE1 A:HIS96 3.1 23.6 1.0 CD2 A:HIS64 3.2 19.1 1.0 CD2 A:HIS96 3.2 22.8 1.0 CHD A:HEM201 3.4 19.7 1.0 CHB A:HEM201 3.4 23.7 1.0 CHC A:HEM201 3.4 22.4 1.0 CHA A:HEM201 3.4 21.7 1.0 ND1 A:HIS64 4.2 17.9 1.0 C3D A:HEM201 4.2 19.0 1.0 C2D A:HEM201 4.2 20.0 1.0 C2A A:HEM201 4.2 23.6 1.0 C3A A:HEM201 4.2 24.3 1.0 ND1 A:HIS96 4.2 23.1 1.0 CG A:HIS64 4.3 19.3 1.0 C3B A:HEM201 4.3 25.2 1.0 C2B A:HEM201 4.3 24.5 1.0 C2C A:HEM201 4.3 25.7 1.0 CG A:HIS96 4.3 23.7 1.0 C3C A:HEM201 4.3 24.0 1.0 CG2 A:VAL68 4.8 18.6 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