Iron in PDB 8xbj: The X-Ray Structure of F46C Myoglobin with A Covalently Linked Ni- Complex

The structure of The X-Ray Structure of F46C Myoglobin with A Covalently Linked Ni- Complex, PDB code: 8xbj 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)	22.70 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.827, 49.215, 76.748, 90, 90, 90
R / Rfree (%)	17.6 / 18.3

The structure of The X-Ray Structure of F46C Myoglobin with A Covalently Linked Ni- Complex also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Iron atom in the The X-Ray Structure of F46C Myoglobin with A Covalently Linked Ni- Complex (pdb code 8xbj). 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 The X-Ray Structure of F46C Myoglobin with A Covalently Linked Ni- Complex, PDB code: 8xbj:

Iron binding site 1 out of 1 in the The X-Ray Structure of F46C Myoglobin with A Covalently Linked Ni- Complex


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 F46C Myoglobin with A Covalently Linked Ni- Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:12.6 occ:1.00 FE A:HEM201 0.0 12.6 1.0 ND A:HEM201 2.0 11.3 1.0 NA A:HEM201 2.0 12.0 1.0 NB A:HEM201 2.1 11.5 1.0 NC A:HEM201 2.1 11.5 1.0 NE2 A:HIS93 2.2 11.6 1.0 O A:HOH369 2.3 21.7 1.0 C1D A:HEM201 3.0 12.9 1.0 C1B A:HEM201 3.0 10.6 1.0 C4D A:HEM201 3.0 11.2 1.0 C4A A:HEM201 3.0 10.7 1.0 C1A A:HEM201 3.1 12.4 1.0 C4C A:HEM201 3.1 11.9 1.0 C4B A:HEM201 3.1 10.1 1.0 C1C A:HEM201 3.1 10.8 1.0 CE1 A:HIS93 3.1 11.3 1.0 CD2 A:HIS93 3.2 13.2 1.0 CHA A:HEM201 3.4 11.3 1.0 CHD A:HEM201 3.4 12.4 1.0 CHC A:HEM201 3.4 12.1 1.0 CHB A:HEM201 3.4 11.4 1.0 ND1 A:HIS93 4.2 13.0 1.0 O A:HOH460 4.3 36.6 1.0 C2A A:HEM201 4.3 13.3 1.0 C2B A:HEM201 4.3 10.7 1.0 C2D A:HEM201 4.3 16.7 1.0 C3D A:HEM201 4.3 13.8 1.0 C3B A:HEM201 4.3 11.2 1.0 C2C A:HEM201 4.3 11.7 1.0 C3A A:HEM201 4.3 10.6 1.0 C3C A:HEM201 4.3 12.3 1.0 CG A:HIS93 4.3 10.9 1.0 O A:HOH442 4.3 37.8 1.0 CG2 A:VAL68 4.6 16.7 1.0 CD2 A:HIS97 5.0 13.5 1.0

Y.W.Lin, H.Yuan. The X-Ray Structure of F46C Myoglobin with A Covalently Linked Ni-Complex To Be Published.