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

Protein crystallography data

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

Other elements in 7quv:

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
Nickel (Ni) 1 atom
Calcium (Ca) 3 atoms

Potassium Binding Sites:

The binding sites of Potassium 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 Potassium atom.
In total only one binding site of Potassium was determined in the Crystal Structure of Human Calprotectin (S100A8/S100A9) in Complex with Peptide 3, PDB code: 7quv:

Potassium binding site 1 out of 1 in 7quv

Go back to Potassium Binding Sites List in 7quv
Potassium 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 Potassium with other atoms in the K 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
A:K103

b:41.7
occ:1.00
OD1 B:ASP32 2.2 31.1 1.0
NE2 B:HIS22 2.3 27.5 1.0
NE2 A:HIS85 2.3 30.7 1.0
NE2 A:HIS89 2.4 43.7 1.0
CD2 A:HIS85 3.0 33.3 1.0
CG B:ASP32 3.1 33.9 1.0
CD2 A:HIS89 3.2 36.0 1.0
CD2 B:HIS22 3.2 31.7 1.0
CE1 B:HIS22 3.3 32.4 1.0
CE1 A:HIS85 3.4 33.9 1.0
OD2 B:ASP32 3.5 30.6 1.0
CE1 A:HIS89 3.5 30.9 1.0
CG A:HIS85 4.2 30.1 1.0
CE1 C:PHE9 4.2 31.0 1.0
CB B:ASP32 4.2 30.5 1.0
ND1 A:HIS85 4.3 27.1 1.0
ND1 B:HIS22 4.4 37.8 1.0
CG A:HIS89 4.4 38.8 1.0
CG B:HIS22 4.4 31.8 1.0
OG A:SER88 4.5 41.4 1.0
ND1 A:HIS89 4.5 34.3 1.0
CG2 C:VAL7 4.7 46.0 1.0
CA B:ASP32 4.7 26.7 1.0
CZ C:PHE9 4.7 34.3 1.0
CE2 B:PHE21 4.7 28.5 1.0
O A:HIS85 4.9 33.2 1.0
O B:ASP32 5.0 30.8 1.0
CD2 B:PHE21 5.0 30.9 1.0

Reference:

C.Diaz-Perlas, C.Heinis, F.Pojer, K.Lau. Crystal Structure of Human Calprotectin (S100A8/S100A9) in Complex with Peptide 3 To Be Published.
Page generated: Mon Aug 12 20:50:02 2024

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