Calcium in PDB 9g3r: Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside
Protein crystallography data
The structure of Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside, PDB code: 9g3r
was solved by
F.Melicher,
L.Faltinek,
M.Wimmerova,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
45.39 /
1.70
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
50.9,
99.823,
86.838,
90,
90,
90
|
|
R / Rfree (%)
|
19.6 /
22.7
|
Other elements in 9g3r:
The structure of Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside
(pdb code 9g3r). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the
Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside, PDB code: 9g3r:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 9g3r
Go back to
Calcium Binding Sites List in 9g3r
Calcium binding site 1 out
of 8 in the Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca201
b:18.8
occ:1.00
|
O
|
A:THR104
|
2.4
|
18.7
|
1.0
|
|
OD1
|
A:ASN108
|
2.4
|
17.5
|
1.0
|
|
O
|
A:TYR36
|
2.4
|
18.8
|
1.0
|
|
OD1
|
A:ASN107
|
2.4
|
20.5
|
1.0
|
|
O3
|
I:YIO2
|
2.4
|
19.9
|
1.0
|
|
O4
|
I:YIO2
|
2.5
|
21.0
|
1.0
|
|
OD2
|
A:ASP100
|
2.5
|
17.4
|
1.0
|
|
C
|
A:TYR36
|
3.4
|
19.6
|
1.0
|
|
C3
|
I:YIO2
|
3.4
|
21.6
|
1.0
|
|
C4
|
I:YIO2
|
3.4
|
21.2
|
1.0
|
|
CG
|
A:ASN108
|
3.4
|
16.7
|
1.0
|
|
C
|
A:THR104
|
3.5
|
20.9
|
1.0
|
|
CG
|
A:ASN107
|
3.5
|
19.1
|
1.0
|
|
CG
|
A:ASP100
|
3.5
|
16.4
|
1.0
|
|
OG1
|
A:THR104
|
3.7
|
19.2
|
1.0
|
|
ND2
|
A:ASN108
|
3.9
|
16.8
|
1.0
|
|
OD1
|
A:ASP100
|
3.9
|
17.5
|
1.0
|
|
CA
|
A:TYR36
|
4.0
|
17.1
|
1.0
|
|
ND2
|
A:ASN107
|
4.0
|
19.2
|
1.0
|
|
CB
|
A:THR104
|
4.0
|
22.8
|
1.0
|
|
C2
|
I:YIO2
|
4.0
|
21.9
|
1.0
|
|
CB
|
A:TYR36
|
4.2
|
17.1
|
1.0
|
|
CA
|
A:THR104
|
4.4
|
22.3
|
1.0
|
|
N
|
A:TYR105
|
4.4
|
21.2
|
1.0
|
|
N
|
A:GLY37
|
4.5
|
23.0
|
1.0
|
|
CA
|
A:TYR105
|
4.5
|
18.5
|
1.0
|
|
O
|
A:HOH350
|
4.6
|
22.4
|
1.0
|
|
N
|
A:ASN108
|
4.6
|
17.7
|
1.0
|
|
C
|
A:ASN107
|
4.7
|
17.1
|
1.0
|
|
O2
|
I:YIO2
|
4.8
|
23.8
|
1.0
|
|
CB
|
A:ASN108
|
4.8
|
15.5
|
1.0
|
|
C
|
A:TYR105
|
4.8
|
19.1
|
1.0
|
|
CB
|
A:ASN107
|
4.8
|
19.0
|
1.0
|
|
CA
|
A:GLY37
|
4.8
|
23.0
|
1.0
|
|
N
|
A:ASN107
|
4.8
|
18.4
|
1.0
|
|
C5
|
I:YIO2
|
4.8
|
21.6
|
1.0
|
|
CB
|
A:ASP100
|
4.9
|
15.9
|
1.0
|
|
CA
|
A:ASN108
|
4.9
|
17.2
|
1.0
|
|
Calcium binding site 2 out
of 8 in 9g3r
Go back to
Calcium Binding Sites List in 9g3r
Calcium binding site 2 out
of 8 in the Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca201
b:29.6
occ:1.00
|
O
|
B:TYR36
|
2.2
|
24.6
|
1.0
|
|
O4
|
J:YIO2
|
2.4
|
32.8
|
1.0
|
|
O3
|
J:YIO2
|
2.4
|
31.2
|
1.0
|
|
OD1
|
B:ASN108
|
2.4
|
30.7
|
1.0
|
|
OD1
|
B:ASN107
|
2.4
|
34.0
|
1.0
|
|
O
|
B:THR104
|
2.5
|
31.0
|
1.0
|
|
OD2
|
B:ASP100
|
2.6
|
25.0
|
1.0
|
|
C
|
B:TYR36
|
3.2
|
26.7
|
1.0
|
|
C4
|
J:YIO2
|
3.3
|
36.5
|
1.0
|
|
C3
|
J:YIO2
|
3.3
|
32.8
|
1.0
|
|
CG
|
B:ASN107
|
3.4
|
36.7
|
1.0
|
|
CG
|
B:ASN108
|
3.5
|
27.8
|
1.0
|
|
CG
|
B:ASP100
|
3.6
|
27.8
|
1.0
|
|
C
|
B:THR104
|
3.7
|
31.4
|
1.0
|
|
ND2
|
B:ASN107
|
3.8
|
38.0
|
1.0
|
|
CA
|
B:TYR36
|
3.8
|
25.9
|
1.0
|
|
OG1
|
B:THR104
|
3.9
|
34.9
|
1.0
|
|
OD1
|
B:ASP100
|
3.9
|
29.8
|
1.0
|
|
C2
|
J:YIO2
|
4.0
|
35.6
|
1.0
|
|
ND2
|
B:ASN108
|
4.0
|
27.6
|
1.0
|
|
CB
|
B:THR104
|
4.1
|
37.3
|
1.0
|
|
CB
|
B:TYR36
|
4.1
|
26.6
|
1.0
|
|
N
|
B:GLY37
|
4.3
|
33.5
|
1.0
|
|
CA
|
B:THR104
|
4.5
|
35.1
|
1.0
|
|
CA
|
B:GLY37
|
4.6
|
34.9
|
1.0
|
|
O2
|
J:YIO2
|
4.6
|
35.4
|
1.0
|
|
N
|
B:TYR105
|
4.6
|
31.8
|
1.0
|
|
N
|
B:ASN108
|
4.6
|
31.0
|
1.0
|
|
CA
|
B:TYR105
|
4.7
|
32.0
|
1.0
|
|
C5
|
J:YIO2
|
4.7
|
36.1
|
1.0
|
|
C
|
B:ASN107
|
4.7
|
29.3
|
1.0
|
|
CB
|
B:ASN107
|
4.8
|
33.6
|
1.0
|
|
N
|
B:ASN107
|
4.8
|
27.6
|
1.0
|
|
CB
|
B:ASN108
|
4.8
|
27.7
|
1.0
|
|
CA
|
B:ASN108
|
4.9
|
28.0
|
1.0
|
|
C
|
B:TYR105
|
5.0
|
30.1
|
1.0
|
|
CB
|
B:ASP100
|
5.0
|
28.3
|
1.0
|
|
Calcium binding site 3 out
of 8 in 9g3r
Go back to
Calcium Binding Sites List in 9g3r
Calcium binding site 3 out
of 8 in the Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca201
b:23.8
occ:1.00
|
O
|
C:TYR36
|
2.3
|
24.3
|
1.0
|
|
O
|
C:THR104
|
2.4
|
21.8
|
1.0
|
|
OD1
|
C:ASN107
|
2.4
|
27.7
|
1.0
|
|
OD2
|
C:ASP100
|
2.5
|
19.3
|
1.0
|
|
OD1
|
C:ASN108
|
2.5
|
24.2
|
1.0
|
|
O3
|
C:YIO202
|
2.5
|
25.0
|
1.0
|
|
O4
|
C:YIO202
|
2.5
|
23.4
|
1.0
|
|
C4
|
C:YIO202
|
3.3
|
27.9
|
1.0
|
|
C
|
C:TYR36
|
3.3
|
23.4
|
1.0
|
|
C3
|
C:YIO202
|
3.4
|
27.2
|
1.0
|
|
CG
|
C:ASN107
|
3.5
|
28.6
|
1.0
|
|
CG
|
C:ASP100
|
3.5
|
18.3
|
1.0
|
|
CG
|
C:ASN108
|
3.6
|
22.1
|
1.0
|
|
C
|
C:THR104
|
3.6
|
26.1
|
1.0
|
|
OG1
|
C:THR104
|
3.6
|
25.6
|
1.0
|
|
OD1
|
C:ASP100
|
3.9
|
19.1
|
1.0
|
|
CA
|
C:TYR36
|
3.9
|
21.1
|
1.0
|
|
ND2
|
C:ASN107
|
4.0
|
26.9
|
1.0
|
|
ND2
|
C:ASN108
|
4.0
|
21.7
|
1.0
|
|
C2
|
C:YIO202
|
4.0
|
27.6
|
1.0
|
|
CB
|
C:THR104
|
4.0
|
29.2
|
1.0
|
|
CB
|
C:TYR36
|
4.1
|
21.2
|
1.0
|
|
CA
|
C:THR104
|
4.4
|
27.7
|
1.0
|
|
N
|
C:GLY37
|
4.4
|
25.0
|
1.0
|
|
CA
|
C:TYR105
|
4.5
|
22.9
|
1.0
|
|
N
|
C:TYR105
|
4.5
|
24.4
|
1.0
|
|
O2
|
C:YIO202
|
4.7
|
30.3
|
1.0
|
|
N
|
C:ASN108
|
4.7
|
21.2
|
1.0
|
|
CA
|
C:GLY37
|
4.7
|
22.6
|
1.0
|
|
C
|
C:ASN107
|
4.7
|
22.2
|
1.0
|
|
C5
|
C:YIO202
|
4.8
|
29.0
|
1.0
|
|
CB
|
C:ASN107
|
4.8
|
25.6
|
1.0
|
|
C
|
C:TYR105
|
4.8
|
23.9
|
1.0
|
|
N
|
C:ASN107
|
4.8
|
23.9
|
1.0
|
|
CB
|
C:ASP100
|
4.8
|
19.5
|
1.0
|
|
CB
|
C:ASN108
|
4.9
|
20.7
|
1.0
|
|
CA
|
C:ASN108
|
5.0
|
20.5
|
1.0
|
|
Calcium binding site 4 out
of 8 in 9g3r
Go back to
Calcium Binding Sites List in 9g3r
Calcium binding site 4 out
of 8 in the Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca201
b:15.8
occ:1.00
|
O
|
D:TYR36
|
2.3
|
19.0
|
1.0
|
|
O
|
D:THR104
|
2.3
|
17.1
|
1.0
|
|
OD1
|
D:ASN107
|
2.4
|
17.4
|
1.0
|
|
OD2
|
D:ASP100
|
2.5
|
15.1
|
1.0
|
|
O4
|
K:YIO2
|
2.5
|
19.2
|
1.0
|
|
OD1
|
D:ASN108
|
2.5
|
15.4
|
1.0
|
|
O3
|
K:YIO2
|
2.5
|
18.7
|
1.0
|
|
C4
|
K:YIO2
|
3.3
|
20.9
|
1.0
|
|
C
|
D:TYR36
|
3.3
|
16.8
|
1.0
|
|
C3
|
K:YIO2
|
3.4
|
20.3
|
1.0
|
|
CG
|
D:ASP100
|
3.5
|
14.2
|
1.0
|
|
CG
|
D:ASN107
|
3.5
|
17.5
|
1.0
|
|
C
|
D:THR104
|
3.5
|
18.4
|
1.0
|
|
CG
|
D:ASN108
|
3.5
|
13.5
|
1.0
|
|
OG1
|
D:THR104
|
3.7
|
18.4
|
1.0
|
|
OD1
|
D:ASP100
|
3.8
|
16.3
|
1.0
|
|
ND2
|
D:ASN108
|
3.9
|
14.5
|
1.0
|
|
ND2
|
D:ASN107
|
3.9
|
19.7
|
1.0
|
|
CA
|
D:TYR36
|
4.0
|
16.1
|
1.0
|
|
C2
|
K:YIO2
|
4.0
|
19.6
|
1.0
|
|
CB
|
D:THR104
|
4.0
|
20.1
|
1.0
|
|
CB
|
D:TYR36
|
4.2
|
14.5
|
1.0
|
|
CA
|
D:TYR105
|
4.4
|
15.8
|
1.0
|
|
N
|
D:TYR105
|
4.4
|
19.1
|
1.0
|
|
CA
|
D:THR104
|
4.4
|
18.7
|
1.0
|
|
N
|
D:GLY37
|
4.4
|
16.0
|
1.0
|
|
O
|
D:HOH352
|
4.5
|
22.3
|
1.0
|
|
O2
|
K:YIO2
|
4.7
|
21.8
|
1.0
|
|
N
|
D:ASN108
|
4.7
|
16.9
|
1.0
|
|
CA
|
D:GLY37
|
4.7
|
17.0
|
1.0
|
|
C
|
D:TYR105
|
4.7
|
16.6
|
1.0
|
|
C5
|
K:YIO2
|
4.7
|
21.2
|
1.0
|
|
N
|
D:ASN107
|
4.8
|
16.9
|
1.0
|
|
CB
|
D:ASN107
|
4.8
|
16.6
|
1.0
|
|
C
|
D:ASN107
|
4.8
|
16.2
|
1.0
|
|
CB
|
D:ASP100
|
4.8
|
14.0
|
1.0
|
|
CB
|
D:ASN108
|
4.8
|
14.8
|
1.0
|
|
Calcium binding site 5 out
of 8 in 9g3r
Go back to
Calcium Binding Sites List in 9g3r
Calcium binding site 5 out
of 8 in the Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca201
b:19.9
occ:1.00
|
O
|
E:THR104
|
2.3
|
19.8
|
1.0
|
|
O4
|
E:YIO202
|
2.4
|
21.4
|
1.0
|
|
O
|
E:TYR36
|
2.4
|
18.1
|
1.0
|
|
OD1
|
E:ASN107
|
2.4
|
26.1
|
1.0
|
|
OD1
|
E:ASN108
|
2.5
|
16.0
|
1.0
|
|
OD2
|
E:ASP100
|
2.5
|
17.6
|
1.0
|
|
O3
|
E:YIO202
|
2.5
|
24.2
|
1.0
|
|
C4
|
E:YIO202
|
3.3
|
22.8
|
1.0
|
|
C3
|
E:YIO202
|
3.4
|
22.1
|
1.0
|
|
C
|
E:TYR36
|
3.4
|
20.2
|
1.0
|
|
C
|
E:THR104
|
3.5
|
21.1
|
1.0
|
|
CG
|
E:ASP100
|
3.5
|
15.2
|
1.0
|
|
CG
|
E:ASN107
|
3.5
|
22.5
|
1.0
|
|
CG
|
E:ASN108
|
3.6
|
17.8
|
1.0
|
|
OG1
|
E:THR104
|
3.7
|
22.1
|
1.0
|
|
OD1
|
E:ASP100
|
3.8
|
19.3
|
1.0
|
|
CB
|
E:THR104
|
3.9
|
24.5
|
1.0
|
|
ND2
|
E:ASN107
|
3.9
|
22.1
|
1.0
|
|
C2
|
E:YIO202
|
4.0
|
24.4
|
1.0
|
|
CA
|
E:TYR36
|
4.0
|
17.2
|
1.0
|
|
ND2
|
E:ASN108
|
4.0
|
17.2
|
1.0
|
|
CB
|
E:TYR36
|
4.1
|
18.5
|
1.0
|
|
CA
|
E:THR104
|
4.3
|
23.8
|
1.0
|
|
N
|
E:TYR105
|
4.4
|
21.1
|
1.0
|
|
O
|
E:HOH301
|
4.5
|
25.3
|
1.0
|
|
N
|
E:GLY37
|
4.5
|
19.2
|
1.0
|
|
CA
|
E:TYR105
|
4.5
|
19.5
|
1.0
|
|
N
|
E:ASN108
|
4.6
|
20.8
|
1.0
|
|
O2
|
E:YIO202
|
4.6
|
24.0
|
1.0
|
|
CA
|
E:GLY37
|
4.7
|
21.9
|
1.0
|
|
C5
|
E:YIO202
|
4.7
|
26.0
|
1.0
|
|
C
|
E:ASN107
|
4.8
|
21.3
|
1.0
|
|
C
|
E:TYR105
|
4.8
|
22.5
|
1.0
|
|
CB
|
E:ASN107
|
4.8
|
22.2
|
1.0
|
|
CB
|
E:ASP100
|
4.8
|
15.7
|
1.0
|
|
CB
|
E:ASN108
|
4.8
|
18.4
|
1.0
|
|
N
|
E:ASN107
|
4.9
|
21.3
|
1.0
|
|
CA
|
E:ASN108
|
5.0
|
19.7
|
1.0
|
|
O
|
E:HOH343
|
5.0
|
29.2
|
1.0
|
|
Calcium binding site 6 out
of 8 in 9g3r
Go back to
Calcium Binding Sites List in 9g3r
Calcium binding site 6 out
of 8 in the Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Ca201
b:24.1
occ:1.00
|
O
|
F:TYR36
|
2.3
|
20.1
|
1.0
|
|
O
|
F:THR104
|
2.3
|
25.1
|
1.0
|
|
O4
|
F:YIO202
|
2.5
|
24.0
|
1.0
|
|
OD1
|
F:ASN108
|
2.5
|
22.9
|
1.0
|
|
OD2
|
F:ASP100
|
2.5
|
23.1
|
1.0
|
|
O3
|
F:YIO202
|
2.5
|
24.5
|
1.0
|
|
OD1
|
F:ASN107
|
2.6
|
26.2
|
1.0
|
|
C
|
F:TYR36
|
3.3
|
19.6
|
1.0
|
|
C4
|
F:YIO202
|
3.4
|
27.3
|
1.0
|
|
C3
|
F:YIO202
|
3.4
|
24.3
|
1.0
|
|
CG
|
F:ASP100
|
3.5
|
25.3
|
1.0
|
|
C
|
F:THR104
|
3.5
|
23.8
|
1.0
|
|
CG
|
F:ASN108
|
3.5
|
25.2
|
1.0
|
|
OG1
|
F:THR104
|
3.6
|
23.4
|
1.0
|
|
CG
|
F:ASN107
|
3.6
|
26.5
|
1.0
|
|
OD1
|
F:ASP100
|
3.8
|
24.4
|
1.0
|
|
ND2
|
F:ASN108
|
4.0
|
22.6
|
1.0
|
|
CA
|
F:TYR36
|
4.0
|
19.0
|
1.0
|
|
CB
|
F:THR104
|
4.0
|
27.2
|
1.0
|
|
ND2
|
F:ASN107
|
4.0
|
25.3
|
1.0
|
|
C2
|
F:YIO202
|
4.1
|
25.5
|
1.0
|
|
CB
|
F:TYR36
|
4.2
|
19.8
|
1.0
|
|
CA
|
F:THR104
|
4.3
|
26.4
|
1.0
|
|
N
|
F:GLY37
|
4.4
|
21.4
|
1.0
|
|
N
|
F:TYR105
|
4.4
|
25.2
|
1.0
|
|
CA
|
F:TYR105
|
4.5
|
25.5
|
1.0
|
|
CA
|
F:GLY37
|
4.7
|
23.1
|
1.0
|
|
O2
|
F:YIO202
|
4.7
|
27.5
|
1.0
|
|
C5
|
F:YIO202
|
4.8
|
26.8
|
1.0
|
|
N
|
F:ASN108
|
4.8
|
22.6
|
1.0
|
|
CB
|
F:ASP100
|
4.8
|
24.9
|
1.0
|
|
CB
|
F:ASN108
|
4.9
|
22.4
|
1.0
|
|
C
|
F:TYR105
|
4.9
|
24.4
|
1.0
|
|
C
|
F:ASN107
|
4.9
|
23.2
|
1.0
|
|
CB
|
F:ASN107
|
5.0
|
27.2
|
1.0
|
|
N
|
F:ASN107
|
5.0
|
24.1
|
1.0
|
|
Calcium binding site 7 out
of 8 in 9g3r
Go back to
Calcium Binding Sites List in 9g3r
Calcium binding site 7 out
of 8 in the Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Ca201
b:18.6
occ:1.00
|
O
|
G:TYR36
|
2.3
|
20.0
|
1.0
|
|
O
|
G:THR104
|
2.4
|
19.2
|
1.0
|
|
O3
|
L:YIO2
|
2.4
|
22.5
|
1.0
|
|
OD1
|
G:ASN108
|
2.4
|
18.5
|
1.0
|
|
OD2
|
G:ASP100
|
2.4
|
16.2
|
1.0
|
|
O4
|
L:YIO2
|
2.5
|
21.2
|
1.0
|
|
OD1
|
G:ASN107
|
2.5
|
19.4
|
1.0
|
|
C
|
G:TYR36
|
3.3
|
19.5
|
1.0
|
|
C3
|
L:YIO2
|
3.4
|
23.0
|
1.0
|
|
C4
|
L:YIO2
|
3.4
|
21.8
|
1.0
|
|
CG
|
G:ASN108
|
3.5
|
16.5
|
1.0
|
|
CG
|
G:ASP100
|
3.5
|
19.0
|
1.0
|
|
C
|
G:THR104
|
3.5
|
18.9
|
1.0
|
|
CG
|
G:ASN107
|
3.6
|
19.6
|
1.0
|
|
OG1
|
G:THR104
|
3.7
|
20.4
|
1.0
|
|
OD1
|
G:ASP100
|
3.8
|
19.0
|
1.0
|
|
CA
|
G:TYR36
|
3.9
|
19.0
|
1.0
|
|
ND2
|
G:ASN108
|
3.9
|
16.5
|
1.0
|
|
CB
|
G:THR104
|
4.0
|
21.6
|
1.0
|
|
C2
|
L:YIO2
|
4.1
|
24.3
|
1.0
|
|
ND2
|
G:ASN107
|
4.1
|
20.5
|
1.0
|
|
CB
|
G:TYR36
|
4.1
|
20.1
|
1.0
|
|
CA
|
G:THR104
|
4.4
|
20.5
|
1.0
|
|
N
|
G:TYR105
|
4.4
|
18.5
|
1.0
|
|
N
|
G:GLY37
|
4.4
|
20.6
|
1.0
|
|
CA
|
G:TYR105
|
4.5
|
17.7
|
1.0
|
|
O
|
G:HOH341
|
4.6
|
24.1
|
1.0
|
|
N
|
G:ASN108
|
4.6
|
17.4
|
1.0
|
|
C
|
G:ASN107
|
4.8
|
18.1
|
1.0
|
|
CA
|
G:GLY37
|
4.8
|
21.3
|
1.0
|
|
CB
|
G:ASN108
|
4.8
|
16.8
|
1.0
|
|
C5
|
L:YIO2
|
4.8
|
24.4
|
1.0
|
|
C
|
G:TYR105
|
4.8
|
17.6
|
1.0
|
|
O2
|
L:YIO2
|
4.8
|
23.7
|
1.0
|
|
CB
|
G:ASP100
|
4.8
|
19.5
|
1.0
|
|
N
|
G:ASN107
|
4.9
|
17.7
|
1.0
|
|
CB
|
G:ASN107
|
4.9
|
18.4
|
1.0
|
|
CA
|
G:ASN108
|
5.0
|
17.3
|
1.0
|
|
Calcium binding site 8 out
of 8 in 9g3r
Go back to
Calcium Binding Sites List in 9g3r
Calcium binding site 8 out
of 8 in the Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Leca From Pseudomonas Aeruginosa in Complex with A Synthetic Thiogalactoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Ca201
b:16.0
occ:1.00
|
O
|
H:THR104
|
2.3
|
17.9
|
1.0
|
|
O
|
H:TYR36
|
2.4
|
18.7
|
1.0
|
|
O3
|
M:YIO2
|
2.4
|
19.2
|
1.0
|
|
OD1
|
H:ASN107
|
2.5
|
17.0
|
1.0
|
|
OD1
|
H:ASN108
|
2.5
|
16.1
|
1.0
|
|
OD2
|
H:ASP100
|
2.5
|
14.1
|
1.0
|
|
O4
|
M:YIO2
|
2.5
|
17.7
|
1.0
|
|
C4
|
M:YIO2
|
3.3
|
19.8
|
1.0
|
|
C3
|
M:YIO2
|
3.4
|
19.8
|
1.0
|
|
C
|
H:TYR36
|
3.4
|
18.5
|
1.0
|
|
C
|
H:THR104
|
3.5
|
18.3
|
1.0
|
|
CG
|
H:ASP100
|
3.5
|
13.9
|
1.0
|
|
CG
|
H:ASN108
|
3.5
|
16.4
|
1.0
|
|
CG
|
H:ASN107
|
3.5
|
18.3
|
1.0
|
|
OG1
|
H:THR104
|
3.7
|
17.4
|
1.0
|
|
OD1
|
H:ASP100
|
3.8
|
12.8
|
1.0
|
|
ND2
|
H:ASN108
|
4.0
|
15.9
|
1.0
|
|
CA
|
H:TYR36
|
4.0
|
18.2
|
1.0
|
|
ND2
|
H:ASN107
|
4.0
|
19.4
|
1.0
|
|
CB
|
H:THR104
|
4.0
|
18.3
|
1.0
|
|
C2
|
M:YIO2
|
4.1
|
20.9
|
1.0
|
|
CB
|
H:TYR36
|
4.2
|
16.5
|
1.0
|
|
N
|
H:TYR105
|
4.4
|
18.1
|
1.0
|
|
CA
|
H:THR104
|
4.4
|
16.9
|
1.0
|
|
CA
|
H:TYR105
|
4.4
|
16.9
|
1.0
|
|
N
|
H:GLY37
|
4.5
|
19.7
|
1.0
|
|
O
|
H:HOH335
|
4.6
|
21.1
|
1.0
|
|
N
|
H:ASN108
|
4.7
|
15.4
|
1.0
|
|
N
|
H:ASN107
|
4.7
|
16.0
|
1.0
|
|
C
|
H:ASN107
|
4.8
|
16.1
|
1.0
|
|
C5
|
M:YIO2
|
4.8
|
21.5
|
1.0
|
|
O2
|
M:YIO2
|
4.8
|
23.9
|
1.0
|
|
C
|
H:TYR105
|
4.8
|
18.9
|
1.0
|
|
CA
|
H:GLY37
|
4.8
|
19.4
|
1.0
|
|
CB
|
H:ASN108
|
4.8
|
16.2
|
1.0
|
|
CB
|
H:ASN107
|
4.8
|
17.8
|
1.0
|
|
CB
|
H:ASP100
|
4.8
|
13.7
|
1.0
|
|
CA
|
H:ASN107
|
5.0
|
16.6
|
1.0
|
|
CA
|
H:ASN108
|
5.0
|
15.2
|
1.0
|
|
Reference:
L.Faltinek,
F.Melicher,
V.Kelemen,
E.Mezo,
A.Borbas,
M.Wimmerova.
Bispecific Thio-Linked Disaccharides As Inhibitors of Pseudomonas Aeruginosa Lectins Leca (Pa-Il) and Lecb (Pa-Iil): Dual-Targeting Strategy. Chemistry 03546 2024.
ISSN: ISSN 0947-6539
PubMed: 39535852
DOI: 10.1002/CHEM.202403546
Page generated: Thu Jul 10 09:45:22 2025
|
