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

Protein crystallography data

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

Other elements in 3psr:

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

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Human Psoriasin (S100A7) CA2+ Bound Form (Crystal Form I), PDB code: 3psr:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 3psr

Go back to Calcium Binding Sites List in 3psr
Calcium binding site 1 out of 2 in the Human Psoriasin (S100A7) CA2+ Bound Form (Crystal Form I)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca102

b:33.5
occ:0.77
OD1 A:ASP62 2.0 47.0 1.0
OD1 A:ASP66 2.1 54.1 1.0
O A:LYS68 2.2 58.5 1.0
OD1 A:ASN64 2.2 51.1 1.0
O A:HOH269 2.3 44.6 1.0
OE2 A:GLU73 2.5 47.0 1.0
OE1 A:GLU73 2.5 49.8 1.0
CD A:GLU73 2.8 44.6 1.0
CG A:ASP66 3.0 53.6 1.0
CG A:ASP62 3.1 46.1 1.0
OD2 A:ASP66 3.3 53.5 1.0
CG A:ASN64 3.3 49.5 1.0
C A:LYS68 3.4 52.9 1.0
ND2 A:ASN64 3.9 45.6 1.0
OD2 A:ASP62 3.9 42.8 1.0
N A:ASP66 4.0 55.0 1.0
CA A:ASP62 4.1 47.6 1.0
N A:LYS68 4.1 58.6 1.0
CB A:ASP62 4.1 43.4 1.0
CB A:ASP66 4.2 50.2 1.0
CA A:LYS68 4.3 54.5 1.0
CG A:GLU73 4.3 36.5 1.0
N A:ILE69 4.4 47.9 1.0
N A:ASN64 4.4 51.0 1.0
C A:ASP62 4.4 53.6 1.0
O A:HOH255 4.5 69.9 1.0
CA A:ILE69 4.5 41.8 1.0
N A:GLU65 4.5 60.1 1.0
CA A:ASP66 4.5 52.7 1.0
CB A:ASN64 4.6 48.7 1.0
OD2 A:ASP70 4.7 49.1 1.0
N A:ASP70 4.7 35.2 1.0
N A:LYS63 4.7 60.6 1.0
CB A:LYS68 4.7 55.0 1.0
C A:ASN64 4.7 55.4 1.0
N A:LYS67 4.8 59.3 1.0
CA A:ASN64 4.8 50.1 1.0
C A:ASP66 4.8 56.5 1.0
O A:ASP62 4.9 46.7 1.0
CD1 A:ILE69 5.0 45.5 1.0

Calcium binding site 2 out of 2 in 3psr

Go back to Calcium Binding Sites List in 3psr
Calcium binding site 2 out of 2 in the Human Psoriasin (S100A7) CA2+ Bound Form (Crystal Form I)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Psoriasin (S100A7) CA2+ Bound Form (Crystal Form I) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca102

b:63.7
occ:1.00
OD1 B:ASP62 1.9 47.5 1.0
O B:HOH270 2.0 54.0 1.0
OD1 B:ASP66 2.0 54.8 1.0
OD1 B:ASN64 2.2 51.8 1.0
O B:LYS68 2.3 59.1 1.0
OE2 B:GLU73 2.5 48.4 1.0
OE1 B:GLU73 2.6 49.5 1.0
CG B:ASP66 2.9 54.9 1.0
CD B:GLU73 2.9 45.8 1.0
CG B:ASP62 3.0 47.6 1.0
OD2 B:ASP66 3.3 55.1 1.0
CG B:ASN64 3.3 50.2 1.0
C B:LYS68 3.5 54.7 1.0
N B:ASP66 3.8 53.9 1.0
OD2 B:ASP62 3.8 45.8 1.0
ND2 B:ASN64 3.8 45.7 1.0
CA B:ASP62 4.0 49.4 1.0
CB B:ASP62 4.0 44.7 1.0
N B:LYS68 4.1 57.9 1.0
CB B:ASP66 4.1 50.6 1.0
C B:ASP62 4.2 55.5 1.0
N B:ASN64 4.3 50.6 1.0
CA B:LYS68 4.3 54.9 1.0
O B:HOH238 4.4 0.1 1.0
CA B:ASP66 4.4 52.5 1.0
N B:GLU65 4.4 61.2 1.0
N B:ILE69 4.4 50.5 1.0
CG B:GLU73 4.4 39.1 1.0
N B:LYS67 4.5 59.9 1.0
CA B:ILE69 4.5 42.4 1.0
CB B:ASN64 4.5 48.7 1.0
O B:ASP62 4.6 48.9 1.0
C B:ASN64 4.6 56.6 1.0
C B:ASP66 4.6 57.7 1.0
N B:LYS63 4.6 61.6 1.0
CA B:ASN64 4.7 50.8 1.0
N B:ASP70 4.8 35.4 1.0
CD1 B:ILE69 4.8 46.0 1.0
C B:GLU65 4.8 60.3 1.0
CB B:LYS68 4.9 55.3 1.0

Reference:

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
Page generated: Sat Dec 12 04:25:04 2020

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