Calcium in PDB 3lk0: X-Ray Structure of Bovine SC0067,Ca(2+)-S100B
Protein crystallography data
The structure of X-Ray Structure of Bovine SC0067,Ca(2+)-S100B, PDB code: 3lk0
was solved by
T.H.Charpentier,
D.J.Weber,
P.W.Wilder,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.36 /
2.04
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
28.607,
59.122,
103.998,
90.00,
92.52,
90.00
|
R / Rfree (%)
|
23.5 /
29.1
|
Other elements in 3lk0:
The structure of X-Ray Structure of Bovine SC0067,Ca(2+)-S100B also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the X-Ray Structure of Bovine SC0067,Ca(2+)-S100B
(pdb code 3lk0). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the
X-Ray Structure of Bovine SC0067,Ca(2+)-S100B, PDB code: 3lk0:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 3lk0
Go back to
Calcium Binding Sites List in 3lk0
Calcium binding site 1 out
of 8 in the X-Ray Structure of Bovine SC0067,Ca(2+)-S100B
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of X-Ray Structure of Bovine SC0067,Ca(2+)-S100B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca90
b:42.1
occ:1.00
|
O
|
A:HOH94
|
2.1
|
40.2
|
1.0
|
OD1
|
A:ASP65
|
2.4
|
38.8
|
1.0
|
OD1
|
A:ASP63
|
2.4
|
53.4
|
1.0
|
OD1
|
A:ASP61
|
2.4
|
49.4
|
1.0
|
O
|
A:GLU67
|
2.4
|
39.1
|
1.0
|
OE2
|
A:GLU72
|
2.5
|
40.4
|
1.0
|
OE1
|
A:GLU72
|
2.5
|
33.1
|
1.0
|
CD
|
A:GLU72
|
2.9
|
38.1
|
1.0
|
CG
|
A:ASP63
|
3.2
|
54.2
|
1.0
|
CG
|
A:ASP65
|
3.3
|
45.6
|
1.0
|
OD2
|
A:ASP63
|
3.3
|
56.5
|
1.0
|
CG
|
A:ASP61
|
3.5
|
47.3
|
1.0
|
C
|
A:GLU67
|
3.5
|
39.4
|
1.0
|
OD2
|
A:ASP65
|
3.6
|
45.4
|
1.0
|
N
|
A:GLU67
|
4.2
|
43.8
|
1.0
|
CA
|
A:ASP61
|
4.2
|
45.4
|
1.0
|
OD2
|
A:ASP61
|
4.2
|
47.8
|
1.0
|
N
|
A:ASP63
|
4.2
|
55.6
|
1.0
|
CB
|
A:ASP61
|
4.3
|
45.4
|
1.0
|
N
|
A:ASP69
|
4.4
|
36.4
|
1.0
|
CA
|
A:GLU67
|
4.4
|
42.1
|
1.0
|
N
|
A:ASP65
|
4.4
|
50.9
|
1.0
|
OD2
|
A:ASP69
|
4.4
|
43.9
|
1.0
|
N
|
A:CYS68
|
4.4
|
38.1
|
1.0
|
N
|
A:SER62
|
4.4
|
50.6
|
1.0
|
CG
|
A:GLU72
|
4.4
|
39.1
|
1.0
|
CA
|
A:CYS68
|
4.5
|
36.5
|
1.0
|
CB
|
A:ASP63
|
4.5
|
58.5
|
1.0
|
CB
|
A:ASP65
|
4.5
|
49.7
|
1.0
|
N
|
A:GLY64
|
4.6
|
50.0
|
1.0
|
C
|
A:ASP61
|
4.7
|
49.3
|
1.0
|
CA
|
A:ASP63
|
4.8
|
58.0
|
1.0
|
CG
|
A:ASP69
|
4.8
|
40.0
|
1.0
|
N
|
A:GLY66
|
4.8
|
49.9
|
1.0
|
CA
|
A:ASP65
|
4.9
|
51.6
|
1.0
|
C
|
A:CYS68
|
4.9
|
36.1
|
1.0
|
C
|
A:ASP63
|
4.9
|
57.7
|
1.0
|
CB
|
A:GLU67
|
4.9
|
41.9
|
1.0
|
O
|
A:HOH93
|
5.0
|
33.5
|
1.0
|
|
Calcium binding site 2 out
of 8 in 3lk0
Go back to
Calcium Binding Sites List in 3lk0
Calcium binding site 2 out
of 8 in the X-Ray Structure of Bovine SC0067,Ca(2+)-S100B
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of X-Ray Structure of Bovine SC0067,Ca(2+)-S100B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca91
b:37.8
occ:1.00
|
O
|
A:ASP23
|
2.2
|
40.2
|
1.0
|
O
|
A:SER18
|
2.3
|
37.4
|
1.0
|
OE1
|
A:GLU31
|
2.4
|
35.3
|
1.0
|
O
|
A:LYS26
|
2.5
|
35.0
|
1.0
|
O
|
A:GLU21
|
2.5
|
42.9
|
1.0
|
OE2
|
A:GLU31
|
2.5
|
43.8
|
1.0
|
CD
|
A:GLU31
|
2.8
|
38.6
|
1.0
|
C
|
A:SER18
|
3.4
|
36.4
|
1.0
|
C
|
A:ASP23
|
3.4
|
43.2
|
1.0
|
C
|
A:LYS26
|
3.7
|
34.4
|
1.0
|
C
|
A:GLU21
|
3.7
|
45.8
|
1.0
|
CA
|
A:SER18
|
3.9
|
35.4
|
1.0
|
N
|
A:ASP23
|
4.1
|
46.2
|
1.0
|
N
|
A:GLU21
|
4.1
|
44.0
|
1.0
|
CA
|
A:ASP23
|
4.3
|
45.1
|
1.0
|
CG
|
A:GLU31
|
4.3
|
39.5
|
1.0
|
C
|
A:GLY22
|
4.3
|
47.2
|
1.0
|
N
|
A:LYS24
|
4.4
|
43.4
|
1.0
|
OE1
|
A:GLU67
|
4.4
|
49.7
|
1.0
|
N
|
A:LYS28
|
4.4
|
37.2
|
1.0
|
N
|
A:LYS26
|
4.4
|
38.8
|
1.0
|
CA
|
A:GLU21
|
4.5
|
46.8
|
1.0
|
CA
|
A:LYS24
|
4.5
|
44.2
|
1.0
|
N
|
A:GLY19
|
4.5
|
38.5
|
1.0
|
CA
|
A:LEU27
|
4.5
|
33.2
|
1.0
|
N
|
A:LEU27
|
4.5
|
33.8
|
1.0
|
NZ
|
A:LYS28
|
4.5
|
51.7
|
1.0
|
CB
|
A:SER18
|
4.6
|
35.2
|
1.0
|
CA
|
A:LYS26
|
4.6
|
37.5
|
1.0
|
O
|
A:TYR17
|
4.6
|
37.5
|
1.0
|
O
|
A:GLY22
|
4.7
|
47.1
|
1.0
|
CB
|
A:ASP23
|
4.7
|
45.4
|
1.0
|
N
|
A:GLY22
|
4.7
|
48.4
|
1.0
|
N
|
A:ARG20
|
4.8
|
43.7
|
1.0
|
C
|
A:LYS24
|
4.8
|
42.8
|
1.0
|
CG
|
A:LYS28
|
4.8
|
41.8
|
1.0
|
CA
|
A:GLY22
|
4.9
|
49.1
|
1.0
|
CA
|
A:GLY19
|
4.9
|
42.5
|
1.0
|
C
|
A:LEU27
|
5.0
|
34.9
|
1.0
|
|
Calcium binding site 3 out
of 8 in 3lk0
Go back to
Calcium Binding Sites List in 3lk0
Calcium binding site 3 out
of 8 in the X-Ray Structure of Bovine SC0067,Ca(2+)-S100B
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of X-Ray Structure of Bovine SC0067,Ca(2+)-S100B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca90
b:36.8
occ:1.00
|
OD1
|
B:ASP61
|
2.1
|
41.2
|
1.0
|
OD1
|
B:ASP63
|
2.3
|
46.0
|
1.0
|
OD1
|
B:ASP65
|
2.4
|
38.4
|
1.0
|
O
|
B:GLU67
|
2.4
|
37.1
|
1.0
|
OE1
|
B:GLU72
|
2.4
|
31.6
|
1.0
|
OE2
|
B:GLU72
|
2.5
|
33.6
|
1.0
|
CD
|
B:GLU72
|
2.8
|
33.8
|
1.0
|
CG
|
B:ASP65
|
3.2
|
43.5
|
1.0
|
CG
|
B:ASP61
|
3.2
|
43.7
|
1.0
|
CG
|
B:ASP63
|
3.2
|
49.7
|
1.0
|
OD2
|
B:ASP63
|
3.5
|
48.5
|
1.0
|
C
|
B:GLU67
|
3.5
|
37.6
|
1.0
|
OD2
|
B:ASP65
|
3.6
|
44.2
|
1.0
|
CB
|
B:ASP61
|
4.0
|
40.8
|
1.0
|
CA
|
B:ASP61
|
4.0
|
41.4
|
1.0
|
OD2
|
B:ASP61
|
4.1
|
44.1
|
1.0
|
N
|
B:GLU67
|
4.2
|
42.5
|
1.0
|
N
|
B:ASP63
|
4.3
|
48.8
|
1.0
|
N
|
B:ASP65
|
4.3
|
46.4
|
1.0
|
CB
|
B:ASP65
|
4.3
|
47.1
|
1.0
|
CG
|
B:GLU72
|
4.3
|
33.4
|
1.0
|
N
|
B:CYS68
|
4.4
|
36.9
|
1.0
|
CA
|
B:CYS68
|
4.4
|
34.2
|
1.0
|
CA
|
B:GLU67
|
4.4
|
40.8
|
1.0
|
N
|
B:ASP69
|
4.5
|
34.3
|
1.0
|
C
|
B:ASP61
|
4.5
|
43.1
|
1.0
|
O
|
B:HOH104
|
4.5
|
43.5
|
1.0
|
OD2
|
B:ASP69
|
4.5
|
41.6
|
1.0
|
CB
|
B:ASP63
|
4.5
|
51.7
|
1.0
|
N
|
B:SER62
|
4.6
|
44.0
|
1.0
|
N
|
B:GLY66
|
4.7
|
45.8
|
1.0
|
CA
|
B:ASP65
|
4.7
|
47.1
|
1.0
|
N
|
B:GLY64
|
4.7
|
44.0
|
1.0
|
CA
|
B:ASP63
|
4.7
|
51.2
|
1.0
|
CG
|
B:ASP69
|
4.8
|
37.7
|
1.0
|
C
|
B:ASP65
|
4.9
|
47.1
|
1.0
|
C
|
B:CYS68
|
4.9
|
34.6
|
1.0
|
C
|
B:ASP63
|
4.9
|
52.1
|
1.0
|
|
Calcium binding site 4 out
of 8 in 3lk0
Go back to
Calcium Binding Sites List in 3lk0
Calcium binding site 4 out
of 8 in the X-Ray Structure of Bovine SC0067,Ca(2+)-S100B
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of X-Ray Structure of Bovine SC0067,Ca(2+)-S100B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca91
b:38.2
occ:1.00
|
O
|
B:SER18
|
2.3
|
39.2
|
1.0
|
O
|
B:ASP23
|
2.4
|
43.8
|
1.0
|
O
|
B:HOH103
|
2.4
|
34.1
|
1.0
|
O
|
B:LYS26
|
2.5
|
37.0
|
1.0
|
OE1
|
B:GLU31
|
2.5
|
36.0
|
1.0
|
O
|
B:GLU21
|
2.5
|
44.2
|
1.0
|
OE2
|
B:GLU31
|
2.6
|
38.8
|
1.0
|
CD
|
B:GLU31
|
2.9
|
37.6
|
1.0
|
C
|
B:SER18
|
3.4
|
38.7
|
1.0
|
C
|
B:ASP23
|
3.5
|
46.0
|
1.0
|
C
|
B:LYS26
|
3.7
|
36.4
|
1.0
|
C
|
B:GLU21
|
3.7
|
49.0
|
1.0
|
CA
|
B:SER18
|
3.9
|
36.7
|
1.0
|
N
|
B:GLU21
|
4.1
|
48.2
|
1.0
|
N
|
B:ASP23
|
4.1
|
48.0
|
1.0
|
N
|
B:LYS24
|
4.4
|
47.0
|
1.0
|
CA
|
B:LYS24
|
4.4
|
47.0
|
1.0
|
CA
|
B:ASP23
|
4.4
|
48.2
|
1.0
|
N
|
B:LYS26
|
4.4
|
39.7
|
1.0
|
N
|
B:LYS28
|
4.4
|
36.0
|
1.0
|
C
|
B:GLY22
|
4.4
|
50.1
|
1.0
|
CA
|
B:GLU21
|
4.4
|
50.9
|
1.0
|
CG
|
B:GLU31
|
4.5
|
37.1
|
1.0
|
CB
|
B:SER18
|
4.5
|
35.8
|
1.0
|
CA
|
B:LEU27
|
4.5
|
34.1
|
1.0
|
N
|
B:GLY19
|
4.5
|
41.2
|
1.0
|
N
|
B:LEU27
|
4.5
|
35.2
|
1.0
|
OE1
|
B:GLU67
|
4.6
|
47.5
|
1.0
|
CA
|
B:LYS26
|
4.6
|
38.2
|
1.0
|
O
|
B:TYR17
|
4.7
|
36.3
|
1.0
|
N
|
B:ARG20
|
4.7
|
45.5
|
1.0
|
C
|
B:LYS24
|
4.7
|
44.8
|
1.0
|
N
|
B:GLY22
|
4.8
|
50.9
|
1.0
|
CG
|
B:LYS28
|
4.8
|
43.3
|
1.0
|
O
|
B:GLY22
|
4.9
|
51.0
|
1.0
|
CD
|
B:LYS28
|
4.9
|
44.1
|
1.0
|
CB
|
B:ASP23
|
4.9
|
48.4
|
1.0
|
O
|
B:HOH108
|
4.9
|
40.4
|
1.0
|
C
|
B:LEU27
|
4.9
|
35.2
|
1.0
|
CA
|
B:GLY22
|
4.9
|
51.0
|
1.0
|
N
|
B:HIS25
|
5.0
|
44.5
|
1.0
|
|
Calcium binding site 5 out
of 8 in 3lk0
Go back to
Calcium Binding Sites List in 3lk0
Calcium binding site 5 out
of 8 in the X-Ray Structure of Bovine SC0067,Ca(2+)-S100B
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of X-Ray Structure of Bovine SC0067,Ca(2+)-S100B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca90
b:41.5
occ:1.00
|
OD1
|
C:ASP61
|
2.1
|
42.5
|
1.0
|
OD1
|
C:ASP65
|
2.4
|
41.8
|
1.0
|
OD1
|
C:ASP63
|
2.4
|
42.1
|
1.0
|
O
|
C:HOH96
|
2.4
|
36.2
|
1.0
|
O
|
C:GLU67
|
2.4
|
37.0
|
1.0
|
OE1
|
C:GLU72
|
2.5
|
30.7
|
1.0
|
OE2
|
C:GLU72
|
2.5
|
38.0
|
1.0
|
CD
|
C:GLU72
|
2.9
|
35.9
|
1.0
|
CG
|
C:ASP65
|
3.2
|
44.6
|
1.0
|
CG
|
C:ASP63
|
3.2
|
45.7
|
1.0
|
CG
|
C:ASP61
|
3.3
|
43.3
|
1.0
|
OD2
|
C:ASP63
|
3.5
|
42.2
|
1.0
|
C
|
C:GLU67
|
3.5
|
36.8
|
1.0
|
OD2
|
C:ASP65
|
3.6
|
44.7
|
1.0
|
OD2
|
C:ASP61
|
4.2
|
41.7
|
1.0
|
N
|
C:GLU67
|
4.2
|
42.5
|
1.0
|
CA
|
C:ASP61
|
4.2
|
40.9
|
1.0
|
CB
|
C:ASP61
|
4.2
|
41.1
|
1.0
|
N
|
C:ASP65
|
4.3
|
52.1
|
1.0
|
OD2
|
C:ASP69
|
4.3
|
41.2
|
1.0
|
CB
|
C:ASP65
|
4.3
|
51.3
|
1.0
|
N
|
C:CYS68
|
4.3
|
34.5
|
1.0
|
N
|
C:ASP69
|
4.4
|
33.5
|
1.0
|
CG
|
C:GLU72
|
4.4
|
34.3
|
1.0
|
N
|
C:ASP63
|
4.4
|
48.2
|
1.0
|
CA
|
C:GLU67
|
4.4
|
39.6
|
1.0
|
CA
|
C:CYS68
|
4.4
|
32.4
|
1.0
|
CB
|
C:ASP63
|
4.5
|
49.0
|
1.0
|
C
|
C:ASP61
|
4.6
|
43.6
|
1.0
|
CG
|
C:ASP69
|
4.6
|
40.0
|
1.0
|
CA
|
C:ASP65
|
4.6
|
52.6
|
1.0
|
N
|
C:GLY64
|
4.7
|
53.0
|
1.0
|
N
|
C:SER62
|
4.7
|
44.0
|
1.0
|
CA
|
C:ASP63
|
4.8
|
50.1
|
1.0
|
N
|
C:GLY66
|
4.8
|
50.2
|
1.0
|
C
|
C:CYS68
|
4.9
|
33.1
|
1.0
|
C
|
C:ASP65
|
4.9
|
50.8
|
1.0
|
O
|
C:HOH93
|
4.9
|
28.9
|
1.0
|
C
|
C:ASP63
|
4.9
|
51.0
|
1.0
|
|
Calcium binding site 6 out
of 8 in 3lk0
Go back to
Calcium Binding Sites List in 3lk0
Calcium binding site 6 out
of 8 in the X-Ray Structure of Bovine SC0067,Ca(2+)-S100B
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of X-Ray Structure of Bovine SC0067,Ca(2+)-S100B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca91
b:37.8
occ:1.00
|
O
|
C:SER18
|
2.4
|
37.1
|
1.0
|
O
|
C:ASP23
|
2.4
|
41.5
|
1.0
|
OE2
|
C:GLU31
|
2.4
|
40.3
|
1.0
|
O
|
C:LYS26
|
2.4
|
35.4
|
1.0
|
OE1
|
C:GLU31
|
2.4
|
33.6
|
1.0
|
O
|
C:GLU21
|
2.6
|
45.3
|
1.0
|
CD
|
C:GLU31
|
2.8
|
36.0
|
1.0
|
C
|
C:SER18
|
3.4
|
36.0
|
1.0
|
C
|
C:ASP23
|
3.6
|
44.2
|
1.0
|
C
|
C:LYS26
|
3.6
|
35.2
|
1.0
|
C
|
C:GLU21
|
3.8
|
49.2
|
1.0
|
CA
|
C:SER18
|
3.9
|
34.0
|
1.0
|
N
|
C:GLU21
|
4.3
|
47.4
|
1.0
|
N
|
C:ASP23
|
4.3
|
48.8
|
1.0
|
CG
|
C:GLU31
|
4.3
|
35.7
|
1.0
|
N
|
C:LYS28
|
4.4
|
37.2
|
1.0
|
C
|
C:GLY22
|
4.4
|
50.2
|
1.0
|
CA
|
C:ASP23
|
4.4
|
47.5
|
1.0
|
CA
|
C:LEU27
|
4.5
|
32.4
|
1.0
|
N
|
C:LYS26
|
4.5
|
36.9
|
1.0
|
CB
|
C:SER18
|
4.5
|
32.8
|
1.0
|
CA
|
C:LYS24
|
4.5
|
42.5
|
1.0
|
N
|
C:LEU27
|
4.5
|
35.1
|
1.0
|
N
|
C:LYS24
|
4.5
|
43.1
|
1.0
|
OE1
|
C:GLU67
|
4.6
|
49.8
|
1.0
|
N
|
C:GLY19
|
4.6
|
38.1
|
1.0
|
CA
|
C:LYS26
|
4.6
|
37.3
|
1.0
|
O
|
C:TYR17
|
4.6
|
33.9
|
1.0
|
CA
|
C:GLU21
|
4.6
|
50.5
|
1.0
|
N
|
C:GLY22
|
4.7
|
51.9
|
1.0
|
N
|
C:ARG20
|
4.8
|
42.6
|
1.0
|
C
|
C:LYS24
|
4.8
|
40.0
|
1.0
|
CA
|
C:GLY22
|
4.8
|
52.2
|
1.0
|
O
|
C:GLY22
|
4.9
|
50.3
|
1.0
|
C
|
C:LEU27
|
4.9
|
35.0
|
1.0
|
CB
|
C:ASP23
|
4.9
|
48.0
|
1.0
|
|
Calcium binding site 7 out
of 8 in 3lk0
Go back to
Calcium Binding Sites List in 3lk0
Calcium binding site 7 out
of 8 in the X-Ray Structure of Bovine SC0067,Ca(2+)-S100B
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of X-Ray Structure of Bovine SC0067,Ca(2+)-S100B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca90
b:39.5
occ:1.00
|
O
|
D:SER18
|
2.3
|
40.5
|
1.0
|
OE1
|
D:GLU31
|
2.4
|
35.4
|
1.0
|
O
|
D:ASP23
|
2.4
|
45.8
|
1.0
|
O
|
D:LYS26
|
2.5
|
40.4
|
1.0
|
OE2
|
D:GLU31
|
2.5
|
40.6
|
1.0
|
O
|
D:GLU21
|
2.5
|
48.9
|
1.0
|
CD
|
D:GLU31
|
2.8
|
39.5
|
1.0
|
C
|
D:SER18
|
3.3
|
40.5
|
1.0
|
C
|
D:ASP23
|
3.6
|
49.4
|
1.0
|
C
|
D:LYS26
|
3.7
|
39.9
|
1.0
|
C
|
D:GLU21
|
3.7
|
52.0
|
1.0
|
CA
|
D:SER18
|
3.8
|
37.6
|
1.0
|
N
|
D:GLU21
|
4.1
|
50.4
|
1.0
|
N
|
D:ASP23
|
4.2
|
51.8
|
1.0
|
CG
|
D:GLU31
|
4.3
|
40.6
|
1.0
|
N
|
D:LYS28
|
4.4
|
38.1
|
1.0
|
CA
|
D:ASP23
|
4.4
|
50.9
|
1.0
|
C
|
D:GLY22
|
4.4
|
53.7
|
1.0
|
N
|
D:LYS26
|
4.4
|
41.3
|
1.0
|
CB
|
D:SER18
|
4.5
|
36.4
|
1.0
|
N
|
D:GLY19
|
4.5
|
42.9
|
1.0
|
CA
|
D:GLU21
|
4.5
|
53.2
|
1.0
|
CA
|
D:LEU27
|
4.6
|
37.0
|
1.0
|
N
|
D:LEU27
|
4.6
|
38.4
|
1.0
|
N
|
D:LYS24
|
4.6
|
50.2
|
1.0
|
OE1
|
D:GLU67
|
4.6
|
45.7
|
1.0
|
O
|
D:TYR17
|
4.7
|
36.5
|
1.0
|
CA
|
D:LYS26
|
4.7
|
40.2
|
1.0
|
CA
|
D:LYS24
|
4.7
|
49.9
|
1.0
|
N
|
D:ARG20
|
4.7
|
48.1
|
1.0
|
CB
|
D:ASP23
|
4.7
|
50.1
|
1.0
|
C
|
D:LYS24
|
4.7
|
47.1
|
1.0
|
N
|
D:GLY22
|
4.7
|
54.7
|
1.0
|
O
|
D:GLY22
|
4.8
|
54.9
|
1.0
|
CB
|
D:GLU21
|
4.8
|
52.5
|
1.0
|
C
|
D:LEU27
|
4.9
|
37.8
|
1.0
|
CA
|
D:GLY22
|
4.9
|
55.4
|
1.0
|
CG
|
D:LYS28
|
4.9
|
42.3
|
1.0
|
CA
|
D:GLY19
|
4.9
|
48.1
|
1.0
|
|
Calcium binding site 8 out
of 8 in 3lk0
Go back to
Calcium Binding Sites List in 3lk0
Calcium binding site 8 out
of 8 in the X-Ray Structure of Bovine SC0067,Ca(2+)-S100B
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of X-Ray Structure of Bovine SC0067,Ca(2+)-S100B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca91
b:43.8
occ:1.00
|
OD1
|
D:ASP61
|
2.0
|
49.3
|
1.0
|
O
|
D:HOH99
|
2.3
|
49.3
|
1.0
|
OD1
|
D:ASP65
|
2.4
|
44.5
|
1.0
|
O
|
D:GLU67
|
2.4
|
41.6
|
1.0
|
OD1
|
D:ASP63
|
2.4
|
47.9
|
1.0
|
OE1
|
D:GLU72
|
2.4
|
37.6
|
1.0
|
OE2
|
D:GLU72
|
2.4
|
39.6
|
1.0
|
CD
|
D:GLU72
|
2.8
|
39.9
|
1.0
|
CG
|
D:ASP63
|
3.1
|
54.4
|
1.0
|
CG
|
D:ASP61
|
3.2
|
53.5
|
1.0
|
CG
|
D:ASP65
|
3.3
|
49.1
|
1.0
|
OD2
|
D:ASP63
|
3.3
|
50.9
|
1.0
|
C
|
D:GLU67
|
3.5
|
41.9
|
1.0
|
OD2
|
D:ASP65
|
3.7
|
50.3
|
1.0
|
OD2
|
D:ASP61
|
4.0
|
55.3
|
1.0
|
CB
|
D:ASP61
|
4.0
|
51.7
|
1.0
|
CA
|
D:ASP61
|
4.1
|
51.0
|
1.0
|
N
|
D:GLU67
|
4.1
|
46.8
|
1.0
|
N
|
D:ASP65
|
4.2
|
54.9
|
1.0
|
CG
|
D:GLU72
|
4.3
|
38.6
|
1.0
|
N
|
D:ASP63
|
4.3
|
57.7
|
1.0
|
CA
|
D:GLU67
|
4.4
|
44.4
|
1.0
|
N
|
D:CYS68
|
4.4
|
41.1
|
1.0
|
CB
|
D:ASP63
|
4.4
|
58.3
|
1.0
|
CB
|
D:ASP65
|
4.5
|
53.8
|
1.0
|
N
|
D:GLY64
|
4.5
|
52.1
|
1.0
|
CA
|
D:CYS68
|
4.5
|
38.8
|
1.0
|
N
|
D:ASP69
|
4.5
|
38.1
|
1.0
|
C
|
D:ASP61
|
4.6
|
53.5
|
1.0
|
OD2
|
D:ASP69
|
4.6
|
41.1
|
1.0
|
N
|
D:GLY66
|
4.6
|
53.4
|
1.0
|
CA
|
D:ASP63
|
4.7
|
60.3
|
1.0
|
CA
|
D:ASP65
|
4.7
|
55.3
|
1.0
|
C
|
D:ASP63
|
4.7
|
61.9
|
1.0
|
N
|
D:SER62
|
4.8
|
53.2
|
1.0
|
CG
|
D:ASP69
|
4.9
|
40.4
|
1.0
|
C
|
D:ASP65
|
4.9
|
55.1
|
1.0
|
CB
|
D:GLU67
|
4.9
|
44.1
|
1.0
|
O
|
D:HOH94
|
5.0
|
34.7
|
1.0
|
|
Reference:
P.T.Wilder,
T.H.Charpentier,
M.A.Liriano,
K.Gianni,
K.M.Varney,
E.Pozharski,
A.Coop,
E.A.Toth,
A.D.Mackerell,
D.J.Weber.
In Vitro Screening and Structural Characterization of Inhibitors of the S100B-P53 Interaction. Int J High Throughput Screen V.2010 109 2010.
ISSN: ESSN 1179-1381
PubMed: 21132089
DOI: 10.2147/IJHTS.S8210
Page generated: Sat Jul 13 13:08:58 2024
|