Iron in PDB 8wub: The X-Ray Structure of Human Neuroglobin C120S Mutant

The structure of The X-Ray Structure of Human Neuroglobin C120S Mutant, PDB code: 8wub was solved by Y.W.Lin, H.Yuan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.52 / 1.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	84.009, 119.94, 38.857, 90, 90, 90
R / Rfree (%)	15.4 / 20.4

The binding sites of Iron atom in the The X-Ray Structure of Human Neuroglobin C120S Mutant (pdb code 8wub). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the The X-Ray Structure of Human Neuroglobin C120S Mutant, PDB code: 8wub:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the The X-Ray Structure of Human Neuroglobin C120S Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The X-Ray Structure of Human Neuroglobin C120S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:15.1 occ:1.00 FE A:HEM201 0.0 15.1 1.0 ND A:HEM201 1.9 12.8 1.0 NA A:HEM201 2.0 16.0 1.0 NE2 A:HIS96 2.0 15.0 1.0 NE2 A:HIS64 2.0 14.2 1.0 NC A:HEM201 2.1 13.9 1.0 NB A:HEM201 2.1 17.7 1.0 C4D A:HEM201 2.9 16.0 1.0 C1D A:HEM201 2.9 12.0 1.0 C1A A:HEM201 3.0 19.3 1.0 CE1 A:HIS96 3.0 16.3 1.0 CE1 A:HIS64 3.0 16.5 1.0 CD2 A:HIS96 3.0 15.4 1.0 CD2 A:HIS64 3.0 15.5 1.0 C4C A:HEM201 3.0 13.9 1.0 C4A A:HEM201 3.0 18.1 1.0 C4B A:HEM201 3.1 17.6 1.0 C1B A:HEM201 3.1 18.4 1.0 C1C A:HEM201 3.1 15.8 1.0 CHA A:HEM201 3.3 16.0 1.0 CHD A:HEM201 3.4 13.7 1.0 CHB A:HEM201 3.5 18.9 1.0 CHC A:HEM201 3.5 17.1 1.0 ND1 A:HIS96 4.1 16.3 1.0 ND1 A:HIS64 4.1 14.0 1.0 CG A:HIS96 4.1 13.7 1.0 CG A:HIS64 4.1 14.1 1.0 C3D A:HEM201 4.1 15.7 1.0 C2D A:HEM201 4.2 14.6 1.0 C2A A:HEM201 4.2 19.4 1.0 C3A A:HEM201 4.2 18.9 1.0 C3C A:HEM201 4.2 16.2 1.0 C2C A:HEM201 4.3 17.1 1.0 C2B A:HEM201 4.3 19.5 1.0 C3B A:HEM201 4.3 22.1 1.0

Iron binding site 2 out of 3 in the The X-Ray Structure of Human Neuroglobin C120S Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The X-Ray Structure of Human Neuroglobin C120S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:14.4 occ:1.00 FE B:HEM201 0.0 14.4 1.0 ND B:HEM201 1.9 13.9 1.0 NE2 B:HIS96 2.0 12.2 1.0 NA B:HEM201 2.0 14.8 1.0 NE2 B:HIS64 2.1 14.1 1.0 NC B:HEM201 2.1 11.8 1.0 NB B:HEM201 2.1 14.4 1.0 C4D B:HEM201 2.9 13.7 1.0 C1D B:HEM201 2.9 12.5 1.0 C1A B:HEM201 3.0 15.8 1.0 CE1 B:HIS96 3.0 15.9 1.0 CD2 B:HIS96 3.0 13.2 1.0 C4C B:HEM201 3.0 10.8 1.0 CD2 B:HIS64 3.0 13.4 1.0 CE1 B:HIS64 3.0 14.5 1.0 C4B B:HEM201 3.0 16.8 1.0 C4A B:HEM201 3.1 18.3 1.0 C1B B:HEM201 3.1 18.3 1.0 C1C B:HEM201 3.1 15.2 1.0 CHA B:HEM201 3.4 15.3 1.0 CHD B:HEM201 3.4 12.3 1.0 CHC B:HEM201 3.5 15.5 1.0 CHB B:HEM201 3.5 17.7 1.0 ND1 B:HIS96 4.1 15.2 1.0 CG B:HIS96 4.1 12.9 1.0 ND1 B:HIS64 4.1 14.2 1.0 C3D B:HEM201 4.1 12.8 1.0 C2D B:HEM201 4.2 12.5 1.0 CG B:HIS64 4.2 12.5 1.0 C2A B:HEM201 4.2 19.9 1.0 C3A B:HEM201 4.2 19.1 1.0 C3C B:HEM201 4.2 15.9 1.0 C2C B:HEM201 4.2 17.9 1.0 C2B B:HEM201 4.3 20.6 1.0 C3B B:HEM201 4.3 19.9 1.0

Iron binding site 3 out of 3 in the The X-Ray Structure of Human Neuroglobin C120S Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The X-Ray Structure of Human Neuroglobin C120S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:15.4 occ:1.00 FE C:HEM201 0.0 15.4 1.0 ND C:HEM201 1.9 15.3 1.0 NE2 C:HIS96 2.0 14.4 1.0 NA C:HEM201 2.0 14.3 1.0 NE2 C:HIS64 2.0 13.7 1.0 NC C:HEM201 2.1 17.9 1.0 NB C:HEM201 2.1 14.6 1.0 C4D C:HEM201 2.9 17.0 1.0 C1D C:HEM201 2.9 17.4 1.0 CD2 C:HIS64 3.0 15.1 1.0 CE1 C:HIS96 3.0 18.1 1.0 C1A C:HEM201 3.0 16.1 1.0 CD2 C:HIS96 3.0 15.5 1.0 C4C C:HEM201 3.0 19.4 1.0 C4A C:HEM201 3.0 14.6 1.0 C4B C:HEM201 3.0 16.2 1.0 C1B C:HEM201 3.1 15.3 1.0 CE1 C:HIS64 3.1 15.7 1.0 C1C C:HEM201 3.1 18.2 1.0 CHA C:HEM201 3.3 15.7 1.0 CHD C:HEM201 3.4 19.6 1.0 CHB C:HEM201 3.5 13.9 1.0 CHC C:HEM201 3.5 18.3 1.0 ND1 C:HIS96 4.1 19.7 1.0 CG C:HIS96 4.1 16.2 1.0 CG C:HIS64 4.1 13.6 1.0 C3D C:HEM201 4.1 20.3 1.0 C2D C:HEM201 4.1 20.1 1.0 ND1 C:HIS64 4.1 13.9 1.0 C2A C:HEM201 4.2 16.0 1.0 C3A C:HEM201 4.2 15.4 1.0 C3C C:HEM201 4.2 20.3 1.0 C2B C:HEM201 4.3 15.9 1.0 C2C C:HEM201 4.3 20.6 1.0 C3B C:HEM201 4.3 16.4 1.0

Y.W.Lin, H.Yuan. The X-Ray Structure of Human Neuroglobin C120S Mutant To Be Published.