Zinc in PDB 7wqg: Bovin Alpha-Lactalbumin Binding with Zinc Ions
Protein crystallography data
The structure of Bovin Alpha-Lactalbumin Binding with Zinc Ions, PDB code: 7wqg
was solved by
T.Li,
T.Zhang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
38.00 /
2.50
|
|
Space group
|
P 3
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
92.837,
92.837,
66.173,
90,
90,
120
|
|
R / Rfree (%)
|
14.4 /
22.2
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Bovin Alpha-Lactalbumin Binding with Zinc Ions
(pdb code 7wqg). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 7 binding sites of Zinc where determined in the
Bovin Alpha-Lactalbumin Binding with Zinc Ions, PDB code: 7wqg:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
Zinc binding site 1 out
of 7 in 7wqg
Go back to
Zinc Binding Sites List in 7wqg
Zinc binding site 1 out
of 7 in the Bovin Alpha-Lactalbumin Binding with Zinc Ions
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Bovin Alpha-Lactalbumin Binding with Zinc Ions within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn201
b:45.9
occ:0.90
|
O
|
A:HOH301
|
1.8
|
26.3
|
1.0
|
|
OD1
|
A:ASP88
|
1.9
|
20.4
|
1.0
|
|
OD1
|
A:ASP82
|
2.1
|
30.1
|
1.0
|
|
O
|
A:ASP84
|
2.2
|
23.2
|
1.0
|
|
O
|
A:LYS79
|
2.5
|
23.6
|
1.0
|
|
CG
|
A:ASP88
|
3.0
|
18.1
|
1.0
|
|
OD1
|
A:ASP87
|
3.1
|
24.5
|
1.0
|
|
C
|
A:ASP84
|
3.3
|
21.6
|
1.0
|
|
CG
|
A:ASP82
|
3.3
|
31.2
|
1.0
|
|
OD2
|
A:ASP88
|
3.4
|
19.4
|
1.0
|
|
O
|
A:ASP82
|
3.6
|
23.5
|
1.0
|
|
C
|
A:LYS79
|
3.7
|
21.8
|
1.0
|
|
OD2
|
A:ASP82
|
3.9
|
34.7
|
1.0
|
|
CA
|
A:PHE80
|
4.0
|
19.9
|
1.0
|
|
CG
|
A:ASP87
|
4.0
|
25.4
|
1.0
|
|
C
|
A:ASP82
|
4.1
|
27.1
|
1.0
|
|
N
|
A:LEU85
|
4.1
|
22.7
|
1.0
|
|
CA
|
A:LEU85
|
4.1
|
20.2
|
1.0
|
|
N
|
A:ASP82
|
4.2
|
23.9
|
1.0
|
|
OD2
|
A:ASP87
|
4.2
|
29.6
|
1.0
|
|
N
|
A:ASP84
|
4.2
|
22.9
|
1.0
|
|
CA
|
A:ASP84
|
4.3
|
21.7
|
1.0
|
|
CB
|
A:ASP88
|
4.3
|
20.9
|
1.0
|
|
N
|
A:PHE80
|
4.3
|
20.4
|
1.0
|
|
C
|
A:PHE80
|
4.3
|
22.9
|
1.0
|
|
CB
|
A:ASP82
|
4.5
|
23.4
|
1.0
|
|
CA
|
A:ASP82
|
4.5
|
23.8
|
1.0
|
|
N
|
A:ASP88
|
4.5
|
23.9
|
1.0
|
|
N
|
A:LEU81
|
4.6
|
24.6
|
1.0
|
|
CB
|
A:ASP84
|
4.7
|
23.5
|
1.0
|
|
CD1
|
A:PHE80
|
4.8
|
19.4
|
1.0
|
|
O
|
A:PHE80
|
4.8
|
23.6
|
1.0
|
|
CD2
|
A:LEU85
|
4.8
|
20.8
|
1.0
|
|
CA
|
A:LYS79
|
4.9
|
23.1
|
1.0
|
|
C
|
A:LEU85
|
4.9
|
23.1
|
1.0
|
|
CA
|
A:ASP88
|
4.9
|
22.2
|
1.0
|
|
C
|
A:ASP83
|
4.9
|
23.8
|
1.0
|
|
N
|
A:ASP83
|
5.0
|
27.4
|
1.0
|
|
C
|
A:LEU81
|
5.0
|
23.9
|
1.0
|
|
Zinc binding site 2 out
of 7 in 7wqg
Go back to
Zinc Binding Sites List in 7wqg
Zinc binding site 2 out
of 7 in the Bovin Alpha-Lactalbumin Binding with Zinc Ions
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Bovin Alpha-Lactalbumin Binding with Zinc Ions within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn201
b:36.2
occ:0.88
|
OD1
|
B:ASP87
|
1.8
|
29.3
|
1.0
|
|
O
|
B:HOH301
|
1.9
|
31.4
|
1.0
|
|
O
|
B:LYS79
|
2.2
|
29.7
|
1.0
|
|
OD1
|
B:ASP82
|
2.2
|
33.8
|
1.0
|
|
O
|
B:ASP84
|
2.3
|
32.8
|
1.0
|
|
OD2
|
B:ASP87
|
2.3
|
27.5
|
1.0
|
|
CG
|
B:ASP87
|
2.3
|
27.9
|
1.0
|
|
OD1
|
B:ASP88
|
2.4
|
26.2
|
1.0
|
|
CG
|
B:ASP82
|
3.0
|
32.4
|
1.0
|
|
OD2
|
B:ASP82
|
3.1
|
37.7
|
1.0
|
|
C
|
B:LYS79
|
3.4
|
28.2
|
1.0
|
|
C
|
B:ASP84
|
3.5
|
28.4
|
1.0
|
|
CG
|
B:ASP88
|
3.6
|
25.4
|
1.0
|
|
CB
|
B:ASP87
|
3.8
|
26.8
|
1.0
|
|
N
|
B:ASP88
|
4.0
|
26.2
|
1.0
|
|
CA
|
B:PHE80
|
4.0
|
25.5
|
1.0
|
|
N
|
B:PHE80
|
4.1
|
27.5
|
1.0
|
|
OD2
|
B:ASP88
|
4.4
|
27.0
|
1.0
|
|
CA
|
B:ASP84
|
4.4
|
26.6
|
1.0
|
|
CB
|
B:ASP82
|
4.4
|
25.2
|
1.0
|
|
N
|
B:ASP87
|
4.4
|
27.9
|
1.0
|
|
N
|
B:ASP84
|
4.4
|
30.8
|
1.0
|
|
N
|
B:LEU85
|
4.4
|
28.6
|
1.0
|
|
CA
|
B:LEU85
|
4.5
|
27.1
|
1.0
|
|
CA
|
B:LYS79
|
4.5
|
27.9
|
1.0
|
|
C
|
B:PHE80
|
4.5
|
26.2
|
1.0
|
|
CB
|
B:ASP84
|
4.5
|
27.5
|
1.0
|
|
CA
|
B:ASP87
|
4.6
|
28.8
|
1.0
|
|
CB
|
B:ASP88
|
4.6
|
23.6
|
1.0
|
|
N
|
B:ASP82
|
4.6
|
27.1
|
1.0
|
|
CD1
|
B:PHE80
|
4.6
|
27.2
|
1.0
|
|
CB
|
B:LYS79
|
4.8
|
29.9
|
1.0
|
|
C
|
B:ASP87
|
4.8
|
26.4
|
1.0
|
|
O
|
B:ASP82
|
4.8
|
31.6
|
1.0
|
|
CA
|
B:ASP88
|
4.8
|
25.0
|
1.0
|
|
C
|
B:ASP82
|
4.8
|
33.0
|
1.0
|
|
C
|
B:LEU85
|
4.9
|
28.6
|
1.0
|
|
O
|
B:PHE80
|
4.9
|
29.3
|
1.0
|
|
CA
|
B:ASP82
|
4.9
|
26.6
|
1.0
|
|
N
|
B:THR86
|
4.9
|
26.5
|
1.0
|
|
Zinc binding site 3 out
of 7 in 7wqg
Go back to
Zinc Binding Sites List in 7wqg
Zinc binding site 3 out
of 7 in the Bovin Alpha-Lactalbumin Binding with Zinc Ions
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Bovin Alpha-Lactalbumin Binding with Zinc Ions within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn201
b:50.9
occ:0.73
|
O
|
C:ASP84
|
2.0
|
41.3
|
1.0
|
|
OD1
|
C:ASP88
|
2.2
|
37.5
|
1.0
|
|
OD1
|
C:ASP82
|
2.3
|
41.0
|
1.0
|
|
O
|
C:LYS79
|
2.9
|
36.2
|
1.0
|
|
CG
|
C:ASP88
|
3.1
|
37.1
|
1.0
|
|
C
|
C:ASP84
|
3.1
|
39.1
|
1.0
|
|
O
|
C:ASP82
|
3.2
|
40.7
|
1.0
|
|
CG
|
C:ASP82
|
3.5
|
43.9
|
1.0
|
|
OD2
|
C:ASP88
|
3.5
|
38.8
|
1.0
|
|
OD1
|
C:ASP87
|
3.8
|
40.0
|
1.0
|
|
CA
|
C:PHE80
|
3.8
|
39.1
|
1.0
|
|
C
|
C:ASP82
|
3.8
|
44.5
|
1.0
|
|
C
|
C:LYS79
|
3.9
|
36.5
|
1.0
|
|
CA
|
C:LEU85
|
3.9
|
41.6
|
1.0
|
|
N
|
C:LEU85
|
3.9
|
39.4
|
1.0
|
|
N
|
C:ASP84
|
4.0
|
43.6
|
1.0
|
|
C
|
C:PHE80
|
4.0
|
37.3
|
1.0
|
|
N
|
C:ASP82
|
4.1
|
37.4
|
1.0
|
|
CA
|
C:ASP84
|
4.1
|
39.9
|
1.0
|
|
CD2
|
C:LEU85
|
4.2
|
33.7
|
1.0
|
|
OD2
|
C:ASP82
|
4.2
|
49.2
|
1.0
|
|
O
|
C:PHE80
|
4.3
|
39.0
|
1.0
|
|
N
|
C:PHE80
|
4.3
|
36.1
|
1.0
|
|
CB
|
C:ASP88
|
4.4
|
36.4
|
1.0
|
|
CA
|
C:ASP82
|
4.4
|
38.2
|
1.0
|
|
C
|
C:ASP83
|
4.5
|
42.9
|
1.0
|
|
N
|
C:LEU81
|
4.5
|
34.4
|
1.0
|
|
CB
|
C:ASP82
|
4.5
|
41.2
|
1.0
|
|
N
|
C:ASP83
|
4.6
|
46.2
|
1.0
|
|
CG
|
C:ASP87
|
4.7
|
40.1
|
1.0
|
|
CB
|
C:ASP84
|
4.8
|
38.5
|
1.0
|
|
C
|
C:LEU85
|
4.9
|
37.8
|
1.0
|
|
CB
|
C:LEU85
|
4.9
|
36.9
|
1.0
|
|
OD2
|
C:ASP87
|
4.9
|
38.2
|
1.0
|
|
CG
|
C:LEU85
|
4.9
|
38.2
|
1.0
|
|
N
|
C:ASP88
|
4.9
|
36.9
|
1.0
|
|
CA
|
C:ASP83
|
5.0
|
42.3
|
1.0
|
|
O
|
C:ASP83
|
5.0
|
44.0
|
1.0
|
|
Zinc binding site 4 out
of 7 in 7wqg
Go back to
Zinc Binding Sites List in 7wqg
Zinc binding site 4 out
of 7 in the Bovin Alpha-Lactalbumin Binding with Zinc Ions
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Bovin Alpha-Lactalbumin Binding with Zinc Ions within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn201
b:39.7
occ:1.00
|
OD1
|
D:ASP87
|
1.9
|
35.5
|
1.0
|
|
OD1
|
D:ASP82
|
2.0
|
38.1
|
1.0
|
|
OD1
|
D:ASP88
|
2.2
|
31.4
|
1.0
|
|
O
|
D:LYS79
|
2.2
|
35.5
|
1.0
|
|
O
|
D:ASP84
|
2.3
|
33.4
|
1.0
|
|
OD2
|
D:ASP82
|
2.6
|
33.1
|
1.0
|
|
CG
|
D:ASP87
|
2.6
|
33.9
|
1.0
|
|
CG
|
D:ASP82
|
2.6
|
32.4
|
1.0
|
|
OD2
|
D:ASP87
|
2.6
|
29.8
|
1.0
|
|
C
|
D:LYS79
|
3.4
|
30.6
|
1.0
|
|
CG
|
D:ASP88
|
3.4
|
30.4
|
1.0
|
|
C
|
D:ASP84
|
3.5
|
31.2
|
1.0
|
|
CA
|
D:PHE80
|
3.8
|
30.9
|
1.0
|
|
N
|
D:ASP88
|
4.0
|
32.5
|
1.0
|
|
N
|
D:PHE80
|
4.0
|
29.5
|
1.0
|
|
CB
|
D:ASP87
|
4.1
|
34.6
|
1.0
|
|
CB
|
D:ASP82
|
4.1
|
28.2
|
1.0
|
|
C
|
D:PHE80
|
4.2
|
31.9
|
1.0
|
|
OD2
|
D:ASP88
|
4.2
|
30.7
|
1.0
|
|
CA
|
D:LEU85
|
4.3
|
30.0
|
1.0
|
|
N
|
D:LEU85
|
4.4
|
30.9
|
1.0
|
|
CB
|
D:ASP88
|
4.4
|
28.3
|
1.0
|
|
N
|
D:ASP82
|
4.4
|
29.0
|
1.0
|
|
CA
|
D:ASP84
|
4.4
|
30.3
|
1.0
|
|
O
|
D:PHE80
|
4.4
|
33.0
|
1.0
|
|
N
|
D:ASP84
|
4.5
|
35.9
|
1.0
|
|
CA
|
D:LYS79
|
4.5
|
27.7
|
1.0
|
|
CD1
|
D:PHE80
|
4.5
|
31.7
|
1.0
|
|
N
|
D:ASP87
|
4.6
|
30.7
|
1.0
|
|
CB
|
D:ASP84
|
4.6
|
29.8
|
1.0
|
|
CA
|
D:ASP82
|
4.7
|
28.2
|
1.0
|
|
CA
|
D:ASP87
|
4.7
|
31.0
|
1.0
|
|
O
|
D:ASP82
|
4.8
|
31.7
|
1.0
|
|
C
|
D:LEU85
|
4.8
|
31.6
|
1.0
|
|
CA
|
D:ASP88
|
4.8
|
28.0
|
1.0
|
|
N
|
D:LEU81
|
4.8
|
30.7
|
1.0
|
|
C
|
D:ASP82
|
4.8
|
32.1
|
1.0
|
|
C
|
D:ASP87
|
4.8
|
33.8
|
1.0
|
|
CB
|
D:LYS79
|
4.9
|
29.9
|
1.0
|
|
N
|
D:THR86
|
4.9
|
32.5
|
1.0
|
|
OD1
|
D:ASP84
|
5.0
|
39.0
|
1.0
|
|
Zinc binding site 5 out
of 7 in 7wqg
Go back to
Zinc Binding Sites List in 7wqg
Zinc binding site 5 out
of 7 in the Bovin Alpha-Lactalbumin Binding with Zinc Ions
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Bovin Alpha-Lactalbumin Binding with Zinc Ions within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn201
b:51.0
occ:0.81
|
O
|
E:ASP84
|
1.9
|
46.6
|
1.0
|
|
OD1
|
E:ASP88
|
2.4
|
37.3
|
1.0
|
|
OD1
|
E:ASP82
|
2.5
|
43.8
|
1.0
|
|
O
|
E:LYS79
|
2.5
|
41.0
|
1.0
|
|
OD1
|
E:ASP87
|
2.6
|
40.6
|
1.0
|
|
C
|
E:ASP84
|
3.2
|
45.6
|
1.0
|
|
CG
|
E:ASP82
|
3.5
|
40.5
|
1.0
|
|
CG
|
E:ASP88
|
3.6
|
37.2
|
1.0
|
|
CG
|
E:ASP87
|
3.7
|
38.6
|
1.0
|
|
C
|
E:LYS79
|
3.7
|
39.4
|
1.0
|
|
OD2
|
E:ASP82
|
3.8
|
38.5
|
1.0
|
|
N
|
E:LEU85
|
4.1
|
48.3
|
1.0
|
|
OD2
|
E:ASP87
|
4.1
|
39.8
|
1.0
|
|
CA
|
E:ASP84
|
4.1
|
41.9
|
1.0
|
|
CA
|
E:LEU85
|
4.2
|
41.1
|
1.0
|
|
N
|
E:ASP84
|
4.3
|
45.6
|
1.0
|
|
OD2
|
E:ASP88
|
4.3
|
33.9
|
1.0
|
|
N
|
E:ASP88
|
4.3
|
41.9
|
1.0
|
|
CB
|
E:ASP84
|
4.4
|
36.7
|
1.0
|
|
CA
|
E:PHE80
|
4.4
|
34.0
|
1.0
|
|
N
|
E:PHE80
|
4.5
|
36.5
|
1.0
|
|
C
|
E:LEU85
|
4.6
|
40.3
|
1.0
|
|
CB
|
E:ASP88
|
4.6
|
36.7
|
1.0
|
|
CA
|
E:LYS79
|
4.6
|
41.2
|
1.0
|
|
N
|
E:THR86
|
4.6
|
39.3
|
1.0
|
|
N
|
E:ASP87
|
4.7
|
40.2
|
1.0
|
|
N
|
E:ASP82
|
4.8
|
38.8
|
1.0
|
|
CB
|
E:LYS79
|
4.8
|
44.8
|
1.0
|
|
C
|
E:PHE80
|
4.8
|
36.5
|
1.0
|
|
O
|
E:ASP82
|
4.8
|
35.5
|
1.0
|
|
CB
|
E:ASP82
|
4.8
|
41.9
|
1.0
|
|
C
|
E:ASP82
|
4.8
|
44.5
|
1.0
|
|
CB
|
E:ASP87
|
5.0
|
36.8
|
1.0
|
|
Zinc binding site 6 out
of 7 in 7wqg
Go back to
Zinc Binding Sites List in 7wqg
Zinc binding site 6 out
of 7 in the Bovin Alpha-Lactalbumin Binding with Zinc Ions
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Bovin Alpha-Lactalbumin Binding with Zinc Ions within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Zn201
b:59.3
occ:0.69
|
OD1
|
F:ASP88
|
2.1
|
39.8
|
1.0
|
|
OD1
|
F:ASP87
|
2.1
|
46.0
|
1.0
|
|
O
|
F:ASP84
|
2.2
|
51.7
|
1.0
|
|
O
|
F:LYS79
|
2.4
|
46.8
|
1.0
|
|
OD1
|
F:ASP82
|
2.5
|
47.1
|
1.0
|
|
CG
|
F:ASP87
|
2.9
|
43.8
|
1.0
|
|
OD2
|
F:ASP87
|
3.0
|
45.0
|
1.0
|
|
CG
|
F:ASP88
|
3.3
|
38.9
|
1.0
|
|
CG
|
F:ASP82
|
3.3
|
45.9
|
1.0
|
|
C
|
F:ASP84
|
3.4
|
47.7
|
1.0
|
|
OD2
|
F:ASP82
|
3.5
|
48.1
|
1.0
|
|
C
|
F:LYS79
|
3.5
|
41.6
|
1.0
|
|
N
|
F:ASP88
|
4.0
|
44.0
|
1.0
|
|
OD2
|
F:ASP88
|
4.1
|
41.8
|
1.0
|
|
CB
|
F:ASP88
|
4.2
|
41.8
|
1.0
|
|
CB
|
F:ASP84
|
4.3
|
40.0
|
1.0
|
|
CA
|
F:ASP84
|
4.3
|
45.6
|
1.0
|
|
CA
|
F:PHE80
|
4.3
|
43.7
|
1.0
|
|
N
|
F:PHE80
|
4.4
|
39.5
|
1.0
|
|
N
|
F:LEU85
|
4.4
|
45.9
|
1.0
|
|
CB
|
F:LYS79
|
4.4
|
48.6
|
1.0
|
|
CB
|
F:ASP87
|
4.4
|
41.4
|
1.0
|
|
CA
|
F:LYS79
|
4.4
|
47.6
|
1.0
|
|
CA
|
F:LEU85
|
4.5
|
42.1
|
1.0
|
|
N
|
F:ASP84
|
4.5
|
47.8
|
1.0
|
|
O
|
F:ASP82
|
4.6
|
48.8
|
1.0
|
|
CD1
|
F:PHE80
|
4.6
|
41.5
|
1.0
|
|
N
|
F:ASP87
|
4.6
|
40.5
|
1.0
|
|
CA
|
F:ASP88
|
4.6
|
41.0
|
1.0
|
|
CB
|
F:ASP82
|
4.7
|
39.5
|
1.0
|
|
C
|
F:LEU85
|
4.8
|
44.5
|
1.0
|
|
N
|
F:THR86
|
4.8
|
41.1
|
1.0
|
|
CA
|
F:ASP87
|
4.9
|
41.3
|
1.0
|
|
C
|
F:ASP82
|
4.9
|
48.5
|
1.0
|
|
C
|
F:ASP87
|
4.9
|
41.7
|
1.0
|
|
N
|
F:ASP82
|
4.9
|
42.5
|
1.0
|
|
C
|
F:PHE80
|
5.0
|
43.0
|
1.0
|
|
Zinc binding site 7 out
of 7 in 7wqg
Go back to
Zinc Binding Sites List in 7wqg
Zinc binding site 7 out
of 7 in the Bovin Alpha-Lactalbumin Binding with Zinc Ions
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Bovin Alpha-Lactalbumin Binding with Zinc Ions within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Zn202
b:104.1
occ:0.24
|
ND2
|
F:ASN44
|
2.8
|
63.7
|
1.0
|
|
CG
|
F:ASN44
|
3.3
|
57.0
|
1.0
|
|
CB
|
F:ASN44
|
3.5
|
56.9
|
1.0
|
|
OD1
|
F:ASN44
|
4.2
|
54.9
|
1.0
|
|
CA
|
F:ASN44
|
4.8
|
58.3
|
1.0
|
|
Reference:
T.Li,
R.Jiao,
J.Ma,
J.Zang,
G.Zhao,
T.Zhang.
Zinc Binding Strength of Proteins Dominants Zinc Uptake in Caco-2 Cells. Rsc Adv V. 12 21122 2022.
ISSN: ESSN 2046-2069
PubMed: 35975046
DOI: 10.1039/D2RA03565K
Page generated: Wed Oct 30 14:30:27 2024
|
