Nickel in PDB 1nih: Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits

The structure of Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits, PDB code: 1nih was solved by B.Luisi, B.Liddington, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.180, 82.260, 55.060, 90.00, 98.42, 90.00
R / Rfree (%)	21.4 / n/a

The structure of Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Nickel atom in the Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits (pdb code 1nih). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits, PDB code: 1nih:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni201 b:13.0 occ:1.00 NI A:HNI201 0.0 13.0 1.0 NA A:HNI201 1.8 20.5 1.0 ND A:HNI201 1.9 9.9 1.0 NB A:HNI201 2.0 5.5 1.0 NC A:HNI201 2.0 10.8 1.0 C1A A:HNI201 2.9 14.6 1.0 C4D A:HNI201 2.9 9.6 1.0 C4A A:HNI201 3.0 15.3 1.0 C1D A:HNI201 3.0 21.5 1.0 C4B A:HNI201 3.0 10.4 1.0 C4C A:HNI201 3.0 5.6 1.0 C1B A:HNI201 3.0 20.0 1.0 C1C A:HNI201 3.1 2.1 1.0 NE2 A:HIS87 3.2 15.8 1.0 CHA A:HNI201 3.3 13.9 1.0 CHD A:HNI201 3.4 9.5 1.0 CHB A:HNI201 3.4 19.0 1.0 CHC A:HNI201 3.4 0.6 1.0 CE1 A:HIS87 3.8 8.8 1.0 NE2 A:HIS58 3.9 24.2 1.0 C2A A:HNI201 4.2 16.7 1.0 C3D A:HNI201 4.2 8.0 1.0 C3A A:HNI201 4.2 13.9 1.0 C2D A:HNI201 4.2 14.4 1.0 C3B A:HNI201 4.2 6.5 1.0 C2B A:HNI201 4.3 7.6 1.0 C3C A:HNI201 4.3 9.7 1.0 C2C A:HNI201 4.3 11.0 1.0 CE1 A:HIS58 4.3 16.2 1.0 CD2 A:HIS87 4.4 12.2 1.0 CG2 A:VAL62 4.5 11.8 1.0 CD1 A:LEU91 4.8 17.8 1.0

Nickel binding site 2 out of 2 in the Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni201 b:13.4 occ:1.00 NI C:HNI201 0.0 13.4 1.0 ND C:HNI201 1.8 3.5 1.0 NA C:HNI201 1.8 22.5 1.0 NB C:HNI201 1.9 7.6 1.0 NC C:HNI201 2.0 13.1 1.0 C4D C:HNI201 2.9 13.6 1.0 C4A C:HNI201 2.9 12.3 1.0 C1B C:HNI201 2.9 14.9 1.0 C1A C:HNI201 2.9 16.6 1.0 C4B C:HNI201 3.0 6.4 1.0 C1D C:HNI201 3.0 9.7 1.0 C1C C:HNI201 3.0 17.3 1.0 C4C C:HNI201 3.1 2.7 1.0 NE2 C:HIS87 3.2 12.5 1.0 CHB C:HNI201 3.3 18.1 1.0 CHA C:HNI201 3.3 16.0 1.0 CHC C:HNI201 3.4 4.2 1.0 CHD C:HNI201 3.5 14.4 1.0 NE2 C:HIS58 3.7 19.8 1.0 CE1 C:HIS87 3.8 12.3 1.0 CE1 C:HIS58 4.0 11.2 1.0 C3D C:HNI201 4.1 11.8 1.0 C3A C:HNI201 4.1 19.7 1.0 C2A C:HNI201 4.2 11.9 1.0 C2B C:HNI201 4.2 1.0 1.0 C2D C:HNI201 4.2 18.9 1.0 C3B C:HNI201 4.2 4.4 1.0 C2C C:HNI201 4.3 9.7 1.0 C3C C:HNI201 4.3 11.6 1.0 CD2 C:HIS87 4.4 12.1 1.0 CD1 C:LEU91 4.6 14.5 1.0 CG2 C:VAL62 4.6 11.4 1.0

B.Luisi, B.Liddington, G.Fermi, N.Shibayama. Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits. J.Mol.Biol. V. 214 7 1990.
ISSN: ISSN 0022-2836
PubMed: 2370669
DOI: 10.1016/0022-2836(90)90139-D