Nickel 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:

Iron

(Fe)

1 atom

The binding sites of Nickel 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 Nickel atom.
In total only one binding site of Nickel was determined in the The X-Ray Structure of F46C Myoglobin with A Covalently Linked Ni- Complex, PDB code: 8xbj:

Nickel 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 Nickel with other atoms in the Ni 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:Ni204 b:28.5 occ:1.00 OD2 A:ASP60 1.7 31.2 1.0 NE2 A:HIS64 2.0 26.2 1.0 NAK A:Y6C202 2.0 36.8 1.0 NAJ A:Y6C202 2.1 26.9 1.0 O A:HOH312 2.2 34.5 1.0 O A:HOH391 2.3 30.5 1.0 CAR A:Y6C202 2.8 30.9 1.0 CAQ A:Y6C202 2.8 33.4 1.0 CG A:ASP60 2.8 36.0 1.0 CD2 A:HIS64 3.0 23.0 1.0 CE1 A:HIS64 3.0 31.1 1.0 CAF A:Y6C202 3.1 44.1 1.0 CAE A:Y6C202 3.1 36.2 1.0 OD1 A:ASP60 3.3 33.9 1.0 O A:HOH406 3.8 45.3 1.0 CB A:ASP60 4.1 20.9 1.0 CAP A:Y6C202 4.1 41.6 1.0 ND1 A:HIS64 4.1 29.1 1.0 CG A:HIS64 4.2 20.3 1.0 CAO A:Y6C202 4.2 42.8 1.0 O1D A:HEM201 4.2 40.9 1.0 O A:HOH420 4.3 34.2 1.0 O A:HOH320 4.3 26.6 1.0 CAD A:Y6C202 4.4 42.8 1.0 CAC A:Y6C202 4.4 35.8 1.0 CD2 A:PHE43 4.6 31.4 1.0 CAH A:Y6C202 4.8 40.7 1.0 CAG A:Y6C202 4.8 37.7 1.0 O A:ASP60 4.9 16.2 1.0

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