Iron in PDB 6i40: Crystal Structure of Murine Neuroglobin Bound to Co at 15K Under Illumination Using Optical Fiber

The structure of Crystal Structure of Murine Neuroglobin Bound to Co at 15K Under Illumination Using Optical Fiber, PDB code: 6i40 was solved by C.Savino, L.C.Montemiglio, C.Ardiccioni, C.Exertier, B.Vallone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.04 / 1.90
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	88.043, 88.043, 110.160, 90.00, 90.00, 120.00
R / Rfree (%)	16.7 / 21.5

The binding sites of Iron atom in the Crystal Structure of Murine Neuroglobin Bound to Co at 15K Under Illumination Using Optical Fiber (pdb code 6i40). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Murine Neuroglobin Bound to Co at 15K Under Illumination Using Optical Fiber, PDB code: 6i40:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Murine Neuroglobin Bound to Co at 15K Under Illumination Using Optical Fiber


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 15K Under Illumination Using Optical Fiber within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:21.3 occ:0.90 FE A:HEM201 0.0 21.3 0.9 FE A:HEM201 0.0 19.5 0.1 NE2 A:HIS96 1.9 23.1 0.1 C A:CMO202 1.9 19.8 0.1 NA A:HEM201 2.0 21.7 0.9 NA A:HEM201 2.0 20.4 0.1 NC A:HEM201 2.0 18.4 0.1 NC A:HEM201 2.0 18.8 0.9 ND A:HEM201 2.1 17.9 0.1 ND A:HEM201 2.1 19.4 0.9 NB A:HEM201 2.1 21.2 0.9 NE2 A:HIS96 2.1 25.2 0.9 NB A:HEM201 2.1 19.0 0.1 C A:CMO202 2.7 13.1 0.4 CE1 A:HIS96 2.8 21.2 0.1 O A:CMO202 2.9 19.1 0.1 C1A A:HEM201 3.0 23.3 0.9 C1A A:HEM201 3.0 20.6 0.1 CD2 A:HIS96 3.0 23.0 0.1 C4A A:HEM201 3.0 23.0 0.9 C4C A:HEM201 3.0 16.9 0.1 C4D A:HEM201 3.1 20.9 0.9 CE1 A:HIS96 3.1 22.3 0.9 C4C A:HEM201 3.1 19.1 0.9 C4D A:HEM201 3.1 18.8 0.1 C4A A:HEM201 3.1 21.1 0.1 C1C A:HEM201 3.1 20.0 0.9 C4B A:HEM201 3.1 21.4 0.9 C1C A:HEM201 3.1 18.4 0.1 C1D A:HEM201 3.1 19.0 0.9 C1D A:HEM201 3.1 14.9 0.1 C4B A:HEM201 3.1 19.9 0.1 CD2 A:HIS96 3.1 26.0 0.9 C1B A:HEM201 3.1 22.0 0.9 C1B A:HEM201 3.2 20.8 0.1 CHA A:HEM201 3.4 23.1 0.9 CHA A:HEM201 3.4 21.6 0.1 CHC A:HEM201 3.4 18.9 0.9 CHC A:HEM201 3.4 18.0 0.1 CHD A:HEM201 3.4 16.7 0.1 CHD A:HEM201 3.4 17.6 0.9 O A:CMO202 3.5 8.8 0.4 CHB A:HEM201 3.5 21.3 0.9 CHB A:HEM201 3.5 19.5 0.1 ND1 A:HIS96 4.0 22.7 0.1 CG A:HIS96 4.1 25.8 0.1 ND1 A:HIS96 4.2 24.4 0.9 C2A A:HEM201 4.2 24.0 0.9 C2A A:HEM201 4.2 21.0 0.1 C3C A:HEM201 4.2 18.4 0.1 C3A A:HEM201 4.2 24.7 0.9 CG A:HIS96 4.3 27.0 0.9 C3C A:HEM201 4.3 20.3 0.9 C3A A:HEM201 4.3 20.5 0.1 C3D A:HEM201 4.3 20.8 0.9 C2C A:HEM201 4.3 18.9 0.1 C2C A:HEM201 4.3 19.1 0.9 C3D A:HEM201 4.3 18.2 0.1 C3B A:HEM201 4.3 22.4 0.9 C2D A:HEM201 4.3 20.4 0.9 C2D A:HEM201 4.3 17.1 0.1 C3B A:HEM201 4.3 20.4 0.1 C2B A:HEM201 4.4 21.0 0.9 C2B A:HEM201 4.4 20.2 0.1 NE2 A:HIS64 4.4 22.9 1.0 CG2 A:VAL68 4.9 13.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Murine Neuroglobin Bound to Co at 15K Under Illumination Using Optical Fiber


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Murine Neuroglobin Bound to Co at 15K Under Illumination Using Optical Fiber within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:19.5 occ:0.10 FE A:HEM201 0.0 19.5 0.1 FE A:HEM201 0.0 21.3 0.9 C A:CMO202 1.9 19.8 0.1 NE2 A:HIS96 1.9 23.1 0.1 NA A:HEM201 2.0 21.7 0.9 NA A:HEM201 2.0 20.4 0.1 NC A:HEM201 2.0 18.4 0.1 NC A:HEM201 2.0 18.8 0.9 NB A:HEM201 2.1 21.2 0.9 ND A:HEM201 2.1 17.9 0.1 ND A:HEM201 2.1 19.4 0.9 NB A:HEM201 2.1 19.0 0.1 NE2 A:HIS96 2.1 25.2 0.9 C A:CMO202 2.6 13.1 0.4 CE1 A:HIS96 2.8 21.2 0.1 O A:CMO202 2.9 19.1 0.1 C1A A:HEM201 3.0 23.3 0.9 C1A A:HEM201 3.0 20.6 0.1 CD2 A:HIS96 3.0 23.0 0.1 C4A A:HEM201 3.0 23.0 0.9 C4C A:HEM201 3.1 16.9 0.1 C4A A:HEM201 3.1 21.1 0.1 C4B A:HEM201 3.1 21.4 0.9 C4C A:HEM201 3.1 19.1 0.9 C4D A:HEM201 3.1 20.9 0.9 C1C A:HEM201 3.1 20.0 0.9 CE1 A:HIS96 3.1 22.3 0.9 C1C A:HEM201 3.1 18.4 0.1 C4D A:HEM201 3.1 18.8 0.1 C4B A:HEM201 3.1 19.9 0.1 C1B A:HEM201 3.1 22.0 0.9 C1D A:HEM201 3.1 19.0 0.9 C1D A:HEM201 3.1 14.9 0.1 CD2 A:HIS96 3.1 26.0 0.9 C1B A:HEM201 3.1 20.8 0.1 CHA A:HEM201 3.4 23.1 0.9 CHC A:HEM201 3.4 18.9 0.9 CHA A:HEM201 3.4 21.6 0.1 CHC A:HEM201 3.4 18.0 0.1 O A:CMO202 3.4 8.8 0.4 CHB A:HEM201 3.4 21.3 0.9 CHD A:HEM201 3.5 16.7 0.1 CHD A:HEM201 3.5 17.6 0.9 CHB A:HEM201 3.5 19.5 0.1 ND1 A:HIS96 4.0 22.7 0.1 CG A:HIS96 4.1 25.8 0.1 ND1 A:HIS96 4.2 24.4 0.9 C2A A:HEM201 4.2 24.0 0.9 C2A A:HEM201 4.2 21.0 0.1 C3A A:HEM201 4.2 24.7 0.9 C3C A:HEM201 4.2 18.4 0.1 C3A A:HEM201 4.3 20.5 0.1 C3C A:HEM201 4.3 20.3 0.9 CG A:HIS96 4.3 27.0 0.9 C2C A:HEM201 4.3 18.9 0.1 C2C A:HEM201 4.3 19.1 0.9 C3B A:HEM201 4.3 22.4 0.9 C3D A:HEM201 4.3 20.8 0.9 C3B A:HEM201 4.3 20.4 0.1 C3D A:HEM201 4.3 18.2 0.1 C2B A:HEM201 4.3 21.0 0.9 C2D A:HEM201 4.3 20.4 0.9 C2B A:HEM201 4.3 20.2 0.1 C2D A:HEM201 4.3 17.1 0.1 NE2 A:HIS64 4.4 22.9 1.0 CG2 A:VAL68 4.9 13.1 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