Zinc in PDB 3psr: Human Psoriasin (S100A7) CA2+ Bound Form (Crystal Form I)

The structure of Human Psoriasin (S100A7) CA2+ Bound Form (Crystal Form I), PDB code: 3psr was solved by D.E.Brodersen, J.Nyborg, M.Kjeldgaard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.150, 56.670, 76.380, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 29.5

The structure of Human Psoriasin (S100A7) CA2+ Bound Form (Crystal Form I) also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Zinc atom in the Human Psoriasin (S100A7) CA2+ Bound Form (Crystal Form I) (pdb code 3psr). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Human Psoriasin (S100A7) CA2+ Bound Form (Crystal Form I), PDB code: 3psr:

Zinc binding site 1 out of 1 in the Human Psoriasin (S100A7) CA2+ Bound Form (Crystal Form I)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Psoriasin (S100A7) CA2+ Bound Form (Crystal Form I) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn103 b:38.0 occ:0.54 NE2 A:HIS17 2.0 47.4 1.0 OD1 A:ASP24 2.0 45.2 1.0 OD2 A:ASP24 2.1 40.2 1.0 NE2 B:HIS90 2.2 61.4 1.0 CG A:ASP24 2.3 42.2 1.0 NE2 B:HIS86 2.4 45.9 1.0 CE1 A:HIS17 3.0 47.7 1.0 CD2 A:HIS17 3.0 44.5 1.0 CE1 B:HIS90 3.0 64.3 1.0 CD2 B:HIS86 3.2 47.4 1.0 CE1 B:HIS86 3.4 49.5 1.0 CD2 B:HIS90 3.4 62.2 1.0 CB A:ASP24 3.9 39.7 1.0 CE2 A:PHE16 4.0 31.7 1.0 ND1 A:HIS17 4.1 43.0 1.0 CG A:HIS17 4.1 39.7 1.0 O A:HOH229 4.2 79.0 1.0 ND1 B:HIS90 4.2 64.5 1.0 CD2 A:PHE16 4.2 34.8 1.0 O A:HOH263 4.4 56.9 1.0 CG B:HIS90 4.4 63.8 1.0 CG B:HIS86 4.4 48.8 1.0 ND1 B:HIS86 4.4 53.0 1.0 OG B:SER89 4.5 56.5 1.0 CA A:ASP24 4.6 46.9 1.0 O A:ASP24 4.7 54.0 1.0

D.E.Brodersen, J.Nyborg, M.Kjeldgaard. Zinc-Binding Site of An S100 Protein Revealed. Two Crystal Structures of CA2+-Bound Human Psoriasin (S100A7) in the ZN2+-Loaded and ZN2+-Free States. Biochemistry V. 38 1695 1999.
ISSN: ISSN 0006-2960
PubMed: 10026247
DOI: 10.1021/BI982483D