Calcium in PDB 1f6s: Crystal Structure of Bovine Alpha-Lactalbumin
Protein crystallography data
The structure of Crystal Structure of Bovine Alpha-Lactalbumin, PDB code: 1f6s
was solved by
E.D.Chrysina,
K.Brew,
K.R.Acharya,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
29.99 /
2.20
|
|
Space group
|
P 21 21 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
72.045,
104.650,
117.415,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
21.6 /
25.3
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of Bovine Alpha-Lactalbumin
(pdb code 1f6s). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the
Crystal Structure of Bovine Alpha-Lactalbumin, PDB code: 1f6s:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
Calcium binding site 1 out
of 6 in 1f6s
Go back to
Calcium Binding Sites List in 1f6s
Calcium binding site 1 out
of 6 in the Crystal Structure of Bovine Alpha-Lactalbumin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of Bovine Alpha-Lactalbumin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca201
b:38.7
occ:1.00
|
O
|
A:ASP84
|
2.3
|
38.1
|
1.0
|
|
O
|
A:LYS79
|
2.3
|
37.6
|
1.0
|
|
OD1
|
A:ASP87
|
2.4
|
38.2
|
1.0
|
|
OD1
|
A:ASP82
|
2.4
|
35.5
|
1.0
|
|
OD1
|
A:ASP88
|
2.4
|
32.3
|
1.0
|
|
O
|
A:HOH211
|
2.6
|
35.7
|
1.0
|
|
O
|
A:HOH212
|
2.6
|
31.8
|
1.0
|
|
CG
|
A:ASP87
|
3.3
|
39.0
|
1.0
|
|
CG
|
A:ASP82
|
3.4
|
37.5
|
1.0
|
|
OD2
|
A:ASP87
|
3.5
|
37.8
|
1.0
|
|
C
|
A:ASP84
|
3.5
|
40.1
|
1.0
|
|
CG
|
A:ASP88
|
3.6
|
33.4
|
1.0
|
|
C
|
A:LYS79
|
3.6
|
38.3
|
1.0
|
|
OD2
|
A:ASP82
|
3.7
|
38.1
|
1.0
|
|
OD2
|
A:ASP88
|
4.0
|
30.9
|
1.0
|
|
CA
|
A:PHE80
|
4.2
|
36.6
|
1.0
|
|
N
|
A:PHE80
|
4.3
|
35.7
|
1.0
|
|
N
|
A:LEU85
|
4.4
|
39.1
|
1.0
|
|
CA
|
A:LEU85
|
4.4
|
40.1
|
1.0
|
|
CA
|
A:ASP84
|
4.4
|
40.4
|
1.0
|
|
N
|
A:ASP88
|
4.5
|
34.0
|
1.0
|
|
O
|
A:ASP82
|
4.5
|
36.3
|
1.0
|
|
N
|
A:ASP84
|
4.5
|
41.3
|
1.0
|
|
N
|
A:ASP82
|
4.6
|
36.5
|
1.0
|
|
CA
|
A:LYS79
|
4.6
|
38.6
|
1.0
|
|
C
|
A:PHE80
|
4.7
|
37.5
|
1.0
|
|
CB
|
A:ASP84
|
4.7
|
41.7
|
1.0
|
|
CB
|
A:ASP82
|
4.7
|
36.1
|
1.0
|
|
CB
|
A:ASP87
|
4.7
|
36.7
|
1.0
|
|
N
|
A:ASP87
|
4.8
|
36.8
|
1.0
|
|
CB
|
A:ASP88
|
4.8
|
33.9
|
1.0
|
|
C
|
A:ASP82
|
4.8
|
37.5
|
1.0
|
|
CD2
|
A:PHE80
|
4.8
|
35.8
|
1.0
|
|
C
|
A:LEU85
|
4.9
|
40.0
|
1.0
|
|
CB
|
A:LYS79
|
4.9
|
40.3
|
1.0
|
|
CA
|
A:ASP82
|
4.9
|
36.2
|
1.0
|
|
N
|
A:LEU81
|
4.9
|
36.6
|
1.0
|
|
OD2
|
A:ASP84
|
5.0
|
48.8
|
1.0
|
|
CG
|
A:ASP84
|
5.0
|
43.4
|
1.0
|
|
Calcium binding site 2 out
of 6 in 1f6s
Go back to
Calcium Binding Sites List in 1f6s
Calcium binding site 2 out
of 6 in the Crystal Structure of Bovine Alpha-Lactalbumin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of Bovine Alpha-Lactalbumin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca202
b:43.7
occ:1.00
|
O
|
B:LYS79
|
2.2
|
38.4
|
1.0
|
|
OD1
|
B:ASP88
|
2.4
|
33.8
|
1.0
|
|
O
|
B:ASP84
|
2.4
|
50.4
|
1.0
|
|
OD1
|
B:ASP87
|
2.4
|
40.5
|
1.0
|
|
OD1
|
B:ASP82
|
2.4
|
52.6
|
1.0
|
|
O
|
B:HOH207
|
2.6
|
46.9
|
1.0
|
|
O
|
B:HOH209
|
2.7
|
42.5
|
1.0
|
|
CG
|
B:ASP82
|
3.4
|
52.1
|
1.0
|
|
C
|
B:LYS79
|
3.4
|
39.5
|
1.0
|
|
CG
|
B:ASP87
|
3.4
|
41.0
|
1.0
|
|
CG
|
B:ASP88
|
3.5
|
35.0
|
1.0
|
|
C
|
B:ASP84
|
3.6
|
50.5
|
1.0
|
|
OD2
|
B:ASP82
|
3.6
|
52.3
|
1.0
|
|
OD2
|
B:ASP87
|
3.7
|
41.5
|
1.0
|
|
CA
|
B:PHE80
|
4.0
|
39.0
|
1.0
|
|
OD2
|
B:ASP88
|
4.1
|
38.0
|
1.0
|
|
N
|
B:PHE80
|
4.2
|
37.2
|
1.0
|
|
N
|
B:ASP88
|
4.4
|
37.8
|
1.0
|
|
N
|
B:LEU85
|
4.5
|
48.2
|
1.0
|
|
CA
|
B:LYS79
|
4.5
|
40.2
|
1.0
|
|
N
|
B:ASP84
|
4.5
|
52.6
|
1.0
|
|
CA
|
B:LEU85
|
4.5
|
45.2
|
1.0
|
|
CA
|
B:ASP84
|
4.5
|
52.2
|
1.0
|
|
N
|
B:ASP82
|
4.5
|
47.8
|
1.0
|
|
C
|
B:PHE80
|
4.6
|
41.5
|
1.0
|
|
O
|
B:ASP82
|
4.6
|
50.3
|
1.0
|
|
CB
|
B:ASP82
|
4.7
|
50.7
|
1.0
|
|
CB
|
B:ASP88
|
4.7
|
35.0
|
1.0
|
|
N
|
B:LEU81
|
4.7
|
41.9
|
1.0
|
|
CB
|
B:ASP84
|
4.7
|
52.3
|
1.0
|
|
CD2
|
B:PHE80
|
4.7
|
32.2
|
1.0
|
|
CB
|
B:LYS79
|
4.8
|
43.0
|
1.0
|
|
CB
|
B:ASP87
|
4.8
|
39.6
|
1.0
|
|
C
|
B:ASP82
|
4.8
|
51.2
|
1.0
|
|
N
|
B:ASP87
|
4.8
|
39.9
|
1.0
|
|
CA
|
B:ASP82
|
4.9
|
50.2
|
1.0
|
|
C
|
B:LEU85
|
4.9
|
45.0
|
1.0
|
|
Calcium binding site 3 out
of 6 in 1f6s
Go back to
Calcium Binding Sites List in 1f6s
Calcium binding site 3 out
of 6 in the Crystal Structure of Bovine Alpha-Lactalbumin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of Bovine Alpha-Lactalbumin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca203
b:45.7
occ:1.00
|
O
|
C:LYS79
|
2.2
|
43.2
|
1.0
|
|
OD1
|
C:ASP88
|
2.3
|
43.0
|
1.0
|
|
O
|
C:ASP84
|
2.4
|
54.5
|
1.0
|
|
OD1
|
C:ASP87
|
2.4
|
44.3
|
1.0
|
|
OD1
|
C:ASP82
|
2.5
|
49.7
|
1.0
|
|
O
|
C:HOH204
|
2.5
|
40.1
|
1.0
|
|
O
|
C:HOH205
|
2.9
|
40.6
|
1.0
|
|
CG
|
C:ASP87
|
3.3
|
43.6
|
1.0
|
|
CG
|
C:ASP82
|
3.4
|
48.5
|
1.0
|
|
C
|
C:LYS79
|
3.4
|
42.2
|
1.0
|
|
OD2
|
C:ASP87
|
3.5
|
44.9
|
1.0
|
|
CG
|
C:ASP88
|
3.5
|
42.9
|
1.0
|
|
C
|
C:ASP84
|
3.6
|
53.9
|
1.0
|
|
OD2
|
C:ASP82
|
3.6
|
50.7
|
1.0
|
|
CA
|
C:PHE80
|
4.1
|
39.6
|
1.0
|
|
OD2
|
C:ASP88
|
4.1
|
40.8
|
1.0
|
|
N
|
C:PHE80
|
4.2
|
40.4
|
1.0
|
|
N
|
C:ASP88
|
4.4
|
42.8
|
1.0
|
|
CA
|
C:LYS79
|
4.4
|
43.4
|
1.0
|
|
CA
|
C:LEU85
|
4.4
|
53.4
|
1.0
|
|
N
|
C:LEU85
|
4.4
|
53.7
|
1.0
|
|
CA
|
C:ASP84
|
4.5
|
54.0
|
1.0
|
|
N
|
C:ASP84
|
4.5
|
54.1
|
1.0
|
|
C
|
C:PHE80
|
4.5
|
40.8
|
1.0
|
|
O
|
C:ASP82
|
4.6
|
47.9
|
1.0
|
|
N
|
C:ASP82
|
4.6
|
47.0
|
1.0
|
|
CB
|
C:LYS79
|
4.6
|
46.4
|
1.0
|
|
CB
|
C:ASP82
|
4.7
|
48.0
|
1.0
|
|
CB
|
C:ASP87
|
4.7
|
44.9
|
1.0
|
|
CB
|
C:ASP88
|
4.7
|
42.4
|
1.0
|
|
N
|
C:ASP87
|
4.8
|
46.9
|
1.0
|
|
CB
|
C:ASP84
|
4.8
|
54.3
|
1.0
|
|
C
|
C:ASP82
|
4.8
|
49.4
|
1.0
|
|
CD2
|
C:PHE80
|
4.8
|
37.1
|
1.0
|
|
C
|
C:LEU85
|
4.8
|
53.6
|
1.0
|
|
N
|
C:THR86
|
4.9
|
53.0
|
1.0
|
|
N
|
C:LEU81
|
4.9
|
41.6
|
1.0
|
|
CA
|
C:ASP82
|
4.9
|
48.0
|
1.0
|
|
Calcium binding site 4 out
of 6 in 1f6s
Go back to
Calcium Binding Sites List in 1f6s
Calcium binding site 4 out
of 6 in the Crystal Structure of Bovine Alpha-Lactalbumin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Crystal Structure of Bovine Alpha-Lactalbumin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca204
b:36.6
occ:1.00
|
OD1
|
D:ASP82
|
2.3
|
43.1
|
1.0
|
|
O
|
D:HOH214
|
2.3
|
32.6
|
1.0
|
|
O
|
D:LYS79
|
2.3
|
40.9
|
1.0
|
|
O
|
D:ASP84
|
2.3
|
46.4
|
1.0
|
|
OD1
|
D:ASP88
|
2.4
|
36.6
|
1.0
|
|
OD1
|
D:ASP87
|
2.4
|
34.5
|
1.0
|
|
O
|
D:HOH213
|
2.4
|
39.3
|
1.0
|
|
CG
|
D:ASP82
|
3.2
|
42.6
|
1.0
|
|
CG
|
D:ASP87
|
3.4
|
37.6
|
1.0
|
|
OD2
|
D:ASP82
|
3.5
|
43.4
|
1.0
|
|
C
|
D:LYS79
|
3.5
|
40.0
|
1.0
|
|
C
|
D:ASP84
|
3.5
|
47.2
|
1.0
|
|
CG
|
D:ASP88
|
3.5
|
35.3
|
1.0
|
|
OD2
|
D:ASP87
|
3.7
|
40.2
|
1.0
|
|
OD2
|
D:ASP88
|
4.0
|
31.2
|
1.0
|
|
CA
|
D:PHE80
|
4.2
|
36.6
|
1.0
|
|
N
|
D:PHE80
|
4.3
|
37.1
|
1.0
|
|
N
|
D:ASP84
|
4.4
|
48.6
|
1.0
|
|
CA
|
D:ASP84
|
4.4
|
48.9
|
1.0
|
|
N
|
D:ASP88
|
4.4
|
36.0
|
1.0
|
|
N
|
D:LEU85
|
4.4
|
45.9
|
1.0
|
|
CA
|
D:LEU85
|
4.5
|
43.9
|
1.0
|
|
N
|
D:ASP82
|
4.5
|
42.2
|
1.0
|
|
CA
|
D:LYS79
|
4.6
|
42.5
|
1.0
|
|
CB
|
D:ASP82
|
4.6
|
42.6
|
1.0
|
|
C
|
D:PHE80
|
4.6
|
37.9
|
1.0
|
|
CB
|
D:ASP84
|
4.7
|
48.9
|
1.0
|
|
O
|
D:ASP82
|
4.7
|
46.0
|
1.0
|
|
CB
|
D:ASP88
|
4.7
|
34.5
|
1.0
|
|
C
|
D:ASP82
|
4.8
|
46.2
|
1.0
|
|
N
|
D:LEU81
|
4.8
|
39.6
|
1.0
|
|
CB
|
D:LYS79
|
4.8
|
43.9
|
1.0
|
|
CB
|
D:ASP87
|
4.8
|
36.6
|
1.0
|
|
N
|
D:ASP87
|
4.8
|
41.3
|
1.0
|
|
CA
|
D:ASP82
|
4.9
|
44.0
|
1.0
|
|
CD2
|
D:PHE80
|
4.9
|
32.7
|
1.0
|
|
C
|
D:LEU85
|
4.9
|
43.2
|
1.0
|
|
Calcium binding site 5 out
of 6 in 1f6s
Go back to
Calcium Binding Sites List in 1f6s
Calcium binding site 5 out
of 6 in the Crystal Structure of Bovine Alpha-Lactalbumin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Crystal Structure of Bovine Alpha-Lactalbumin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca205
b:53.3
occ:1.00
|
OD1
|
E:ASP87
|
2.2
|
53.0
|
1.0
|
|
O
|
E:LYS79
|
2.2
|
48.3
|
1.0
|
|
O
|
E:ASP84
|
2.4
|
54.4
|
1.0
|
|
OD1
|
E:ASP88
|
2.5
|
51.1
|
1.0
|
|
O
|
E:HOH208
|
2.5
|
40.9
|
1.0
|
|
OD1
|
E:ASP82
|
2.5
|
62.2
|
1.0
|
|
CG
|
E:ASP87
|
3.0
|
51.9
|
1.0
|
|
OD2
|
E:ASP87
|
3.0
|
54.5
|
1.0
|
|
CG
|
E:ASP82
|
3.3
|
60.5
|
1.0
|
|
OD2
|
E:ASP82
|
3.4
|
60.3
|
1.0
|
|
C
|
E:LYS79
|
3.5
|
47.2
|
1.0
|
|
C
|
E:ASP84
|
3.6
|
55.9
|
1.0
|
|
CG
|
E:ASP88
|
3.7
|
49.8
|
1.0
|
|
CA
|
E:PHE80
|
4.1
|
47.2
|
1.0
|
|
OD2
|
E:ASP88
|
4.2
|
48.5
|
1.0
|
|
N
|
E:PHE80
|
4.2
|
46.0
|
1.0
|
|
N
|
E:ASP88
|
4.4
|
49.8
|
1.0
|
|
CB
|
E:ASP87
|
4.4
|
52.7
|
1.0
|
|
CA
|
E:ASP84
|
4.5
|
56.3
|
1.0
|
|
CA
|
E:LYS79
|
4.5
|
47.8
|
1.0
|
|
N
|
E:LEU85
|
4.5
|
55.7
|
1.0
|
|
CA
|
E:LEU85
|
4.6
|
56.4
|
1.0
|
|
N
|
E:ASP84
|
4.6
|
57.3
|
1.0
|
|
CD2
|
E:PHE80
|
4.6
|
41.7
|
1.0
|
|
CB
|
E:ASP84
|
4.6
|
56.2
|
1.0
|
|
N
|
E:ASP87
|
4.7
|
53.5
|
1.0
|
|
CB
|
E:ASP82
|
4.7
|
57.7
|
1.0
|
|
C
|
E:PHE80
|
4.7
|
48.9
|
1.0
|
|
N
|
E:ASP82
|
4.7
|
54.7
|
1.0
|
|
CB
|
E:LYS79
|
4.8
|
49.1
|
1.0
|
|
CB
|
E:ASP88
|
4.8
|
48.8
|
1.0
|
|
O
|
E:ASP82
|
4.9
|
57.5
|
1.0
|
|
CA
|
E:ASP87
|
4.9
|
51.8
|
1.0
|
|
C
|
E:LEU85
|
4.9
|
56.6
|
1.0
|
|
N
|
E:LEU81
|
5.0
|
51.3
|
1.0
|
|
Calcium binding site 6 out
of 6 in 1f6s
Go back to
Calcium Binding Sites List in 1f6s
Calcium binding site 6 out
of 6 in the Crystal Structure of Bovine Alpha-Lactalbumin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Crystal Structure of Bovine Alpha-Lactalbumin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Ca206
b:35.5
occ:1.00
|
O
|
F:ASP84
|
2.2
|
38.2
|
1.0
|
|
O
|
F:LYS79
|
2.3
|
39.1
|
1.0
|
|
O
|
F:HOH215
|
2.4
|
35.1
|
1.0
|
|
OD1
|
F:ASP88
|
2.4
|
30.8
|
1.0
|
|
OD1
|
F:ASP87
|
2.4
|
39.8
|
1.0
|
|
OD1
|
F:ASP82
|
2.5
|
41.3
|
1.0
|
|
O
|
F:HOH214
|
2.7
|
33.8
|
1.0
|
|
C
|
F:ASP84
|
3.3
|
40.7
|
1.0
|
|
CG
|
F:ASP87
|
3.4
|
37.7
|
1.0
|
|
CG
|
F:ASP82
|
3.4
|
41.6
|
1.0
|
|
C
|
F:LYS79
|
3.6
|
39.4
|
1.0
|
|
OD2
|
F:ASP87
|
3.6
|
36.5
|
1.0
|
|
CG
|
F:ASP88
|
3.6
|
33.3
|
1.0
|
|
OD2
|
F:ASP82
|
3.7
|
43.2
|
1.0
|
|
OD2
|
F:ASP88
|
4.2
|
33.5
|
1.0
|
|
N
|
F:LEU85
|
4.2
|
40.0
|
1.0
|
|
CA
|
F:ASP84
|
4.2
|
41.6
|
1.0
|
|
CA
|
F:PHE80
|
4.2
|
34.8
|
1.0
|
|
N
|
F:ASP84
|
4.3
|
42.8
|
1.0
|
|
CA
|
F:LEU85
|
4.3
|
39.9
|
1.0
|
|
N
|
F:PHE80
|
4.4
|
35.5
|
1.0
|
|
N
|
F:ASP88
|
4.4
|
36.6
|
1.0
|
|
CB
|
F:ASP84
|
4.5
|
41.5
|
1.0
|
|
O
|
F:ASP82
|
4.5
|
38.0
|
1.0
|
|
CA
|
F:LYS79
|
4.6
|
40.4
|
1.0
|
|
N
|
F:ASP82
|
4.6
|
38.4
|
1.0
|
|
CB
|
F:ASP88
|
4.7
|
34.0
|
1.0
|
|
CB
|
F:ASP82
|
4.7
|
39.5
|
1.0
|
|
C
|
F:ASP82
|
4.7
|
40.5
|
1.0
|
|
C
|
F:PHE80
|
4.7
|
34.0
|
1.0
|
|
CB
|
F:ASP87
|
4.7
|
36.6
|
1.0
|
|
N
|
F:ASP87
|
4.8
|
38.6
|
1.0
|
|
C
|
F:LEU85
|
4.8
|
41.1
|
1.0
|
|
CB
|
F:LYS79
|
4.8
|
42.5
|
1.0
|
|
CD2
|
F:PHE80
|
4.9
|
31.0
|
1.0
|
|
CA
|
F:ASP82
|
5.0
|
40.2
|
1.0
|
|
Reference:
E.D.Chrysina,
K.Brew,
K.R.Acharya.
Crystal Structures of Apo- and Holo-Bovine Alpha-Lactalbumin at 2. 2-A Resolution Reveal An Effect of Calcium on Inter-Lobe Interactions. J.Biol.Chem. V. 275 37021 2000.
ISSN: ISSN 0021-9258
PubMed: 10896943
DOI: 10.1074/JBC.M004752200
Page generated: Thu Jul 11 08:02:48 2024
|
