Nickel in PDB 7quv: Crystal Structure of Human Calprotectin (S100A8/S100A9) in Complex with Peptide 3

The structure of Crystal Structure of Human Calprotectin (S100A8/S100A9) in Complex with Peptide 3, PDB code: 7quv was solved by C.Diaz-Perlas, C.Heinis, F.Pojer, K.Lau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.98 / 1.85
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	50.789, 50.789, 148.752, 90, 90, 120
R / Rfree (%)	22.1 / 27.5

The structure of Crystal Structure of Human Calprotectin (S100A8/S100A9) in Complex with Peptide 3 also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Potassium	(K)	1 atom
Calcium	(Ca)	3 atoms

The binding sites of Nickel atom in the Crystal Structure of Human Calprotectin (S100A8/S100A9) in Complex with Peptide 3 (pdb code 7quv). 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 Crystal Structure of Human Calprotectin (S100A8/S100A9) in Complex with Peptide 3, PDB code: 7quv:

Nickel binding site 1 out of 1 in the Crystal Structure of Human Calprotectin (S100A8/S100A9) in Complex with Peptide 3


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Human Calprotectin (S100A8/S100A9) in Complex with Peptide 3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni203 b:33.9 occ:1.00 NE2 B:HIS97 2.1 34.5 1.0 NE2 A:HIS29 2.2 31.5 1.0 NE2 B:HIS105 2.2 36.0 1.0 NE2 B:HIS93 2.3 37.0 1.0 NE2 A:HIS19 2.3 32.4 1.0 NE2 B:HIS107 2.3 37.6 1.0 CE1 B:HIS97 3.0 38.3 1.0 CE1 A:HIS19 3.1 31.4 1.0 CE1 A:HIS29 3.1 32.9 1.0 CE1 B:HIS105 3.2 35.9 1.0 CD2 B:HIS105 3.2 38.3 1.0 CE1 B:HIS93 3.2 37.6 1.0 CD2 A:HIS29 3.2 30.7 1.0 CD2 B:HIS107 3.2 37.0 1.0 CD2 B:HIS97 3.2 34.3 1.0 CD2 B:HIS93 3.2 35.7 1.0 CE1 B:HIS107 3.3 37.8 1.0 CD2 A:HIS19 3.3 29.6 1.0 ND1 B:HIS97 4.2 42.7 1.0 ND1 A:HIS19 4.2 33.3 1.0 ND1 A:HIS29 4.2 35.9 1.0 ND1 B:HIS105 4.3 37.7 1.0 CG B:HIS105 4.3 43.0 1.0 CG B:HIS97 4.3 41.6 1.0 CG A:HIS29 4.3 33.0 1.0 ND1 B:HIS93 4.3 34.1 1.0 CG B:HIS107 4.3 43.7 1.0 ND1 B:HIS107 4.3 34.5 1.0 CG A:HIS19 4.4 31.4 1.0 CG B:HIS93 4.4 33.8 1.0

C.Diaz-Perlas, C.Heinis, F.Pojer, K.Lau. Crystal Structure of Human Calprotectin (S100A8/S100A9) in Complex with Peptide 3 To Be Published.