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:
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
|