Calcium in PDB 9g3k: Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide
Protein crystallography data
The structure of Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide, PDB code: 9g3k
was solved by
G.Antonini,
A.Varrot,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
47.50 /
1.55
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
50.351,
80.166,
52.406,
90,
109.36,
90
|
|
R / Rfree (%)
|
13.7 /
16.8
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide
(pdb code 9g3k). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the
Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide, PDB code: 9g3k:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 9g3k
Go back to
Calcium Binding Sites List in 9g3k
Calcium binding site 1 out
of 8 in the Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca201
b:13.0
occ:1.00
|
OD1
|
A:ASN103
|
2.3
|
12.3
|
1.0
|
|
O
|
A:ASN21
|
2.4
|
13.4
|
1.0
|
|
OD2
|
A:ASP101
|
2.4
|
15.5
|
1.0
|
|
OD1
|
A:ASP104
|
2.4
|
12.1
|
1.0
|
|
O
|
B:GLY114
|
2.4
|
16.2
|
1.0
|
|
O
|
A:HOH304
|
2.5
|
16.4
|
1.0
|
|
O
|
B:HOH302
|
2.5
|
17.5
|
1.0
|
|
CG
|
A:ASP101
|
3.1
|
14.1
|
1.0
|
|
OD1
|
A:ASP101
|
3.1
|
14.3
|
1.0
|
|
CG
|
A:ASN103
|
3.4
|
14.1
|
1.0
|
|
C
|
B:GLY114
|
3.4
|
21.8
|
1.0
|
|
C
|
A:ASN21
|
3.5
|
11.5
|
1.0
|
|
CG
|
A:ASP104
|
3.6
|
10.8
|
1.0
|
|
OXT
|
B:GLY114
|
3.7
|
27.8
|
1.0
|
|
CA
|
A:CA202
|
3.7
|
13.1
|
1.0
|
|
ND2
|
A:ASN103
|
3.8
|
12.2
|
1.0
|
|
CB
|
A:ASN21
|
4.2
|
13.2
|
1.0
|
|
CA
|
A:ASP104
|
4.2
|
10.2
|
1.0
|
|
N
|
A:ASP104
|
4.3
|
9.6
|
1.0
|
|
O1
|
A:SO4203
|
4.3
|
41.6
|
1.0
|
|
O
|
A:HOH337
|
4.3
|
27.9
|
1.0
|
|
CA
|
A:SER22
|
4.4
|
11.8
|
1.0
|
|
N
|
A:SER22
|
4.4
|
10.7
|
1.0
|
|
C
|
A:ASN103
|
4.4
|
10.3
|
1.0
|
|
OD2
|
A:ASP104
|
4.4
|
12.4
|
1.0
|
|
CB
|
A:ASP104
|
4.5
|
10.7
|
1.0
|
|
OD2
|
A:ASP99
|
4.5
|
18.4
|
1.0
|
|
CB
|
A:ASP101
|
4.5
|
13.7
|
1.0
|
|
CA
|
A:ASN21
|
4.5
|
11.4
|
1.0
|
|
CB
|
A:SER22
|
4.6
|
12.6
|
1.0
|
|
O
|
A:HOH315
|
4.6
|
15.8
|
1.0
|
|
CB
|
A:ASN103
|
4.7
|
11.6
|
1.0
|
|
O
|
A:ASN103
|
4.7
|
11.4
|
1.0
|
|
CA
|
B:GLY114
|
4.8
|
16.6
|
1.0
|
|
N
|
A:ASN103
|
4.9
|
10.5
|
1.0
|
|
O4
|
A:SO4203
|
4.9
|
31.0
|
1.0
|
|
CA
|
A:ASN103
|
4.9
|
10.5
|
1.0
|
|
Calcium binding site 2 out
of 8 in 9g3k
Go back to
Calcium Binding Sites List in 9g3k
Calcium binding site 2 out
of 8 in the Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca202
b:13.1
occ:1.00
|
OD1
|
A:ASP99
|
2.3
|
16.8
|
1.0
|
|
OD1
|
A:ASP101
|
2.3
|
14.3
|
1.0
|
|
O
|
A:HOH315
|
2.4
|
15.8
|
1.0
|
|
OD2
|
A:ASP104
|
2.4
|
12.4
|
1.0
|
|
OE2
|
A:GLU95
|
2.4
|
14.2
|
1.0
|
|
O
|
A:HOH304
|
2.5
|
16.4
|
1.0
|
|
OE1
|
A:GLU95
|
2.5
|
13.6
|
1.0
|
|
OD1
|
A:ASP104
|
2.6
|
12.1
|
1.0
|
|
CD
|
A:GLU95
|
2.8
|
13.0
|
1.0
|
|
CG
|
A:ASP104
|
2.9
|
10.8
|
1.0
|
|
CG
|
A:ASP99
|
3.3
|
19.3
|
1.0
|
|
CG
|
A:ASP101
|
3.4
|
14.1
|
1.0
|
|
OD2
|
A:ASP99
|
3.7
|
18.4
|
1.0
|
|
CA
|
A:CA201
|
3.7
|
13.0
|
1.0
|
|
OD2
|
A:ASP101
|
3.9
|
15.5
|
1.0
|
|
O1
|
A:SO4203
|
4.0
|
41.6
|
1.0
|
|
N
|
A:ASP101
|
4.2
|
15.4
|
1.0
|
|
OD1
|
A:ASP96
|
4.2
|
20.6
|
1.0
|
|
O
|
A:HOH404
|
4.2
|
22.2
|
1.0
|
|
CG
|
A:GLU95
|
4.3
|
12.2
|
1.0
|
|
CB
|
A:ASP104
|
4.4
|
10.7
|
1.0
|
|
N
|
A:ASP96
|
4.5
|
12.5
|
1.0
|
|
N
|
A:TYR102
|
4.5
|
12.3
|
1.0
|
|
CB
|
A:ASP101
|
4.5
|
13.7
|
1.0
|
|
N
|
A:ASN100
|
4.5
|
15.4
|
1.0
|
|
N
|
A:GLY97
|
4.6
|
15.7
|
1.0
|
|
CB
|
A:ASP99
|
4.7
|
18.0
|
1.0
|
|
OD1
|
A:ASN103
|
4.7
|
12.3
|
1.0
|
|
CA
|
A:ASP101
|
4.7
|
13.8
|
1.0
|
|
CA
|
A:GLU95
|
4.7
|
11.3
|
1.0
|
|
N
|
A:ASP99
|
4.8
|
18.6
|
1.0
|
|
CB
|
A:GLU95
|
4.9
|
11.3
|
1.0
|
|
O
|
B:HOH302
|
4.9
|
17.5
|
1.0
|
|
C
|
A:ASP99
|
5.0
|
17.9
|
1.0
|
|
CA
|
A:GLY97
|
5.0
|
16.4
|
1.0
|
|
CG
|
A:ASP96
|
5.0
|
17.6
|
1.0
|
|
Calcium binding site 3 out
of 8 in 9g3k
Go back to
Calcium Binding Sites List in 9g3k
Calcium binding site 3 out
of 8 in the Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca201
b:17.5
occ:1.00
|
OD1
|
B:ASN103
|
2.3
|
16.8
|
1.0
|
|
O
|
B:ASN21
|
2.4
|
14.5
|
1.0
|
|
O
|
B:HOH315
|
2.4
|
22.1
|
1.0
|
|
OD2
|
B:ASP101
|
2.4
|
18.2
|
1.0
|
|
O
|
A:HOH309
|
2.4
|
20.8
|
1.0
|
|
OD1
|
B:ASP104
|
2.5
|
16.3
|
1.0
|
|
O
|
A:GLY114
|
2.5
|
21.0
|
1.0
|
|
CG
|
B:ASP101
|
3.1
|
19.4
|
1.0
|
|
OD1
|
B:ASP101
|
3.1
|
20.8
|
1.0
|
|
CG
|
B:ASN103
|
3.4
|
15.0
|
1.0
|
|
C
|
A:GLY114
|
3.5
|
24.5
|
1.0
|
|
C
|
B:ASN21
|
3.6
|
13.6
|
1.0
|
|
CG
|
B:ASP104
|
3.7
|
15.8
|
1.0
|
|
CA
|
B:CA202
|
3.7
|
19.1
|
1.0
|
|
ND2
|
B:ASN103
|
3.8
|
14.9
|
1.0
|
|
OXT
|
A:GLY114
|
3.8
|
27.8
|
1.0
|
|
CA
|
B:ASP104
|
4.2
|
13.9
|
1.0
|
|
O1
|
B:SO4203
|
4.2
|
40.4
|
1.0
|
|
CB
|
B:ASN21
|
4.2
|
11.8
|
1.0
|
|
N
|
B:ASP104
|
4.2
|
11.6
|
1.0
|
|
CA
|
B:SER22
|
4.3
|
13.8
|
1.0
|
|
O
|
A:HOH374
|
4.4
|
31.6
|
1.0
|
|
N
|
B:SER22
|
4.4
|
14.4
|
1.0
|
|
C
|
B:ASN103
|
4.4
|
11.9
|
1.0
|
|
OD2
|
B:ASP104
|
4.5
|
18.6
|
1.0
|
|
CB
|
B:ASP101
|
4.5
|
18.8
|
1.0
|
|
CB
|
B:ASP104
|
4.6
|
14.6
|
1.0
|
|
OD2
|
B:ASP99
|
4.6
|
26.4
|
1.0
|
|
CA
|
B:ASN21
|
4.6
|
11.3
|
1.0
|
|
CB
|
B:SER22
|
4.6
|
16.3
|
1.0
|
|
CB
|
B:ASN103
|
4.7
|
13.9
|
1.0
|
|
O
|
B:HOH301
|
4.7
|
21.7
|
1.0
|
|
O
|
B:ASN103
|
4.8
|
13.4
|
1.0
|
|
O3
|
B:SO4203
|
4.8
|
32.8
|
1.0
|
|
CA
|
A:GLY114
|
4.8
|
20.6
|
1.0
|
|
CA
|
B:ASN103
|
4.9
|
13.5
|
1.0
|
|
N
|
B:ASN103
|
4.9
|
12.0
|
1.0
|
|
Calcium binding site 4 out
of 8 in 9g3k
Go back to
Calcium Binding Sites List in 9g3k
Calcium binding site 4 out
of 8 in the Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca202
b:19.1
occ:1.00
|
OD1
|
B:ASP101
|
2.3
|
20.8
|
1.0
|
|
OD1
|
B:ASP99
|
2.3
|
24.6
|
1.0
|
|
OE2
|
B:GLU95
|
2.4
|
20.4
|
1.0
|
|
O
|
B:HOH301
|
2.5
|
21.7
|
1.0
|
|
O
|
B:HOH315
|
2.5
|
22.1
|
1.0
|
|
OD2
|
B:ASP104
|
2.5
|
18.6
|
1.0
|
|
OE1
|
B:GLU95
|
2.5
|
17.1
|
1.0
|
|
OD1
|
B:ASP104
|
2.7
|
16.3
|
1.0
|
|
CD
|
B:GLU95
|
2.8
|
18.4
|
1.0
|
|
CG
|
B:ASP104
|
2.9
|
15.8
|
1.0
|
|
CG
|
B:ASP99
|
3.3
|
25.1
|
1.0
|
|
CG
|
B:ASP101
|
3.3
|
19.4
|
1.0
|
|
OD2
|
B:ASP99
|
3.7
|
26.4
|
1.0
|
|
CA
|
B:CA201
|
3.7
|
17.5
|
1.0
|
|
OD2
|
B:ASP101
|
3.9
|
18.2
|
1.0
|
|
O1
|
B:SO4203
|
4.0
|
40.4
|
1.0
|
|
O
|
B:HOH368
|
4.1
|
29.8
|
1.0
|
|
N
|
B:ASP101
|
4.2
|
20.6
|
1.0
|
|
CG
|
B:GLU95
|
4.3
|
17.4
|
1.0
|
|
OD1
|
B:ASP96
|
4.3
|
25.8
|
1.0
|
|
CB
|
B:ASP104
|
4.4
|
14.6
|
1.0
|
|
CB
|
B:ASP101
|
4.5
|
18.8
|
1.0
|
|
N
|
B:ASP96
|
4.5
|
17.4
|
1.0
|
|
N
|
B:TYR102
|
4.6
|
15.4
|
1.0
|
|
N
|
B:ASN100
|
4.6
|
21.5
|
1.0
|
|
N
|
B:GLY97
|
4.6
|
22.0
|
1.0
|
|
OD1
|
B:ASN103
|
4.7
|
16.8
|
1.0
|
|
CB
|
B:ASP99
|
4.7
|
22.9
|
1.0
|
|
N
|
B:ASP99
|
4.8
|
27.4
|
1.0
|
|
CA
|
B:ASP101
|
4.8
|
19.9
|
1.0
|
|
CA
|
B:GLU95
|
4.8
|
16.1
|
1.0
|
|
O
|
A:HOH309
|
4.9
|
20.8
|
1.0
|
|
Calcium binding site 5 out
of 8 in 9g3k
Go back to
Calcium Binding Sites List in 9g3k
Calcium binding site 5 out
of 8 in the Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca201
b:14.0
occ:1.00
|
OD1
|
C:ASN103
|
2.3
|
14.4
|
1.0
|
|
O
|
C:ASN21
|
2.4
|
12.8
|
1.0
|
|
OD2
|
C:ASP101
|
2.4
|
15.9
|
1.0
|
|
O
|
C:HOH313
|
2.4
|
14.9
|
1.0
|
|
OD1
|
C:ASP104
|
2.4
|
13.0
|
1.0
|
|
O
|
D:GLY114
|
2.5
|
21.1
|
1.0
|
|
O
|
D:HOH301
|
2.5
|
19.8
|
1.0
|
|
CG
|
C:ASP101
|
3.1
|
15.9
|
1.0
|
|
OD1
|
C:ASP101
|
3.1
|
18.0
|
1.0
|
|
C
|
D:GLY114
|
3.4
|
24.9
|
1.0
|
|
CG
|
C:ASN103
|
3.4
|
12.3
|
1.0
|
|
C
|
C:ASN21
|
3.6
|
13.2
|
1.0
|
|
OXT
|
D:GLY114
|
3.7
|
39.7
|
1.0
|
|
CG
|
C:ASP104
|
3.7
|
12.0
|
1.0
|
|
CA
|
C:CA202
|
3.8
|
14.0
|
1.0
|
|
ND2
|
C:ASN103
|
3.8
|
14.3
|
1.0
|
|
CB
|
C:ASN21
|
4.2
|
13.0
|
1.0
|
|
CA
|
C:ASP104
|
4.2
|
10.0
|
1.0
|
|
N
|
C:ASP104
|
4.3
|
11.2
|
1.0
|
|
CA
|
C:SER22
|
4.4
|
14.2
|
1.0
|
|
N
|
C:SER22
|
4.4
|
13.1
|
1.0
|
|
O3
|
C:SO4204
|
4.4
|
26.6
|
1.0
|
|
C
|
C:ASN103
|
4.4
|
11.8
|
1.0
|
|
OD2
|
C:ASP104
|
4.5
|
13.0
|
1.0
|
|
CB
|
C:ASP101
|
4.5
|
17.4
|
1.0
|
|
CB
|
C:ASP104
|
4.5
|
10.7
|
1.0
|
|
CA
|
C:ASN21
|
4.6
|
13.9
|
1.0
|
|
O
|
C:HOH379
|
4.6
|
31.4
|
1.0
|
|
OD2
|
C:ASP99
|
4.7
|
21.8
|
1.0
|
|
CB
|
C:SER22
|
4.7
|
15.6
|
1.0
|
|
CB
|
C:ASN103
|
4.7
|
12.4
|
1.0
|
|
O
|
C:ASN103
|
4.8
|
11.9
|
1.0
|
|
CA
|
D:GLY114
|
4.8
|
18.1
|
1.0
|
|
O
|
C:HOH331
|
4.8
|
15.8
|
1.0
|
|
N
|
C:ASN103
|
4.9
|
12.0
|
1.0
|
|
O2
|
C:SO4204
|
4.9
|
27.6
|
1.0
|
|
CA
|
C:ASN103
|
4.9
|
11.2
|
1.0
|
|
Calcium binding site 6 out
of 8 in 9g3k
Go back to
Calcium Binding Sites List in 9g3k
Calcium binding site 6 out
of 8 in the Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca202
b:14.0
occ:1.00
|
OD1
|
C:ASP101
|
2.3
|
18.0
|
1.0
|
|
OD1
|
C:ASP99
|
2.3
|
19.1
|
1.0
|
|
O
|
C:HOH331
|
2.4
|
15.8
|
1.0
|
|
OE2
|
C:GLU95
|
2.4
|
14.1
|
1.0
|
|
OD2
|
C:ASP104
|
2.5
|
13.0
|
1.0
|
|
OE1
|
C:GLU95
|
2.5
|
13.2
|
1.0
|
|
O
|
C:HOH313
|
2.5
|
14.9
|
1.0
|
|
OD1
|
C:ASP104
|
2.6
|
13.0
|
1.0
|
|
CD
|
C:GLU95
|
2.8
|
13.6
|
1.0
|
|
CG
|
C:ASP104
|
2.9
|
12.0
|
1.0
|
|
CG
|
C:ASP101
|
3.4
|
15.9
|
1.0
|
|
CG
|
C:ASP99
|
3.4
|
21.4
|
1.0
|
|
OD2
|
C:ASP99
|
3.7
|
21.8
|
1.0
|
|
CA
|
C:CA201
|
3.8
|
14.0
|
1.0
|
|
OD2
|
C:ASP101
|
3.9
|
15.9
|
1.0
|
|
O
|
C:HOH375
|
4.1
|
23.4
|
1.0
|
|
O3
|
C:SO4204
|
4.1
|
26.6
|
1.0
|
|
N
|
C:ASP101
|
4.2
|
17.7
|
1.0
|
|
CG
|
C:GLU95
|
4.2
|
13.7
|
1.0
|
|
OD1
|
C:ASP96
|
4.4
|
18.3
|
1.0
|
|
CB
|
C:ASP104
|
4.4
|
10.7
|
1.0
|
|
CB
|
C:ASP101
|
4.5
|
17.4
|
1.0
|
|
N
|
C:TYR102
|
4.5
|
13.3
|
1.0
|
|
N
|
C:ASN100
|
4.5
|
17.7
|
1.0
|
|
N
|
C:ASP96
|
4.6
|
12.8
|
1.0
|
|
N
|
C:GLY97
|
4.6
|
16.1
|
1.0
|
|
CB
|
C:ASP99
|
4.7
|
20.0
|
1.0
|
|
OD1
|
C:ASN103
|
4.7
|
14.4
|
1.0
|
|
CA
|
C:ASP101
|
4.7
|
16.9
|
1.0
|
|
N
|
C:ASP99
|
4.7
|
20.5
|
1.0
|
|
CA
|
C:GLU95
|
4.8
|
11.5
|
1.0
|
|
CB
|
C:GLU95
|
4.9
|
12.4
|
1.0
|
|
Calcium binding site 7 out
of 8 in 9g3k
Go back to
Calcium Binding Sites List in 9g3k
Calcium binding site 7 out
of 8 in the Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca201
b:12.1
occ:1.00
|
OD1
|
D:ASN103
|
2.3
|
11.7
|
1.0
|
|
OD1
|
D:ASP104
|
2.4
|
12.0
|
1.0
|
|
O
|
D:ASN21
|
2.4
|
11.6
|
1.0
|
|
O
|
C:GLY114
|
2.4
|
14.7
|
1.0
|
|
OD2
|
D:ASP101
|
2.4
|
13.0
|
1.0
|
|
O4
|
D:R7E203
|
2.5
|
14.0
|
1.0
|
|
O3
|
D:R7E203
|
2.5
|
13.6
|
1.0
|
|
CG
|
D:ASP101
|
3.1
|
14.3
|
1.0
|
|
OD1
|
D:ASP101
|
3.1
|
13.9
|
1.0
|
|
CG
|
D:ASN103
|
3.4
|
12.3
|
1.0
|
|
C3
|
D:R7E203
|
3.4
|
13.2
|
1.0
|
|
C
|
C:GLY114
|
3.4
|
17.6
|
1.0
|
|
C4
|
D:R7E203
|
3.4
|
12.9
|
1.0
|
|
C
|
D:ASN21
|
3.6
|
13.0
|
1.0
|
|
CG
|
D:ASP104
|
3.6
|
11.0
|
1.0
|
|
OXT
|
C:GLY114
|
3.7
|
18.6
|
1.0
|
|
CA
|
D:CA202
|
3.7
|
12.3
|
1.0
|
|
ND2
|
D:ASN103
|
3.8
|
13.3
|
1.0
|
|
C2
|
D:R7E203
|
3.8
|
12.2
|
1.0
|
|
CB
|
D:ASN21
|
4.1
|
9.8
|
1.0
|
|
CA
|
D:ASP104
|
4.2
|
9.6
|
1.0
|
|
N
|
D:ASP104
|
4.2
|
9.3
|
1.0
|
|
O
|
D:HOH329
|
4.4
|
24.2
|
1.0
|
|
C
|
D:ASN103
|
4.4
|
8.5
|
1.0
|
|
OD2
|
D:ASP104
|
4.4
|
11.0
|
1.0
|
|
OD2
|
D:ASP99
|
4.4
|
14.6
|
1.0
|
|
N
|
D:SER22
|
4.5
|
10.8
|
1.0
|
|
O2
|
D:R7E203
|
4.5
|
14.6
|
1.0
|
|
CB
|
D:ASP104
|
4.5
|
9.8
|
1.0
|
|
CA
|
D:ASN21
|
4.5
|
10.7
|
1.0
|
|
CA
|
D:SER22
|
4.5
|
11.9
|
1.0
|
|
CB
|
D:ASP101
|
4.5
|
13.3
|
1.0
|
|
O
|
D:ASN103
|
4.7
|
11.4
|
1.0
|
|
CB
|
D:ASN103
|
4.7
|
10.2
|
1.0
|
|
C5
|
D:R7E203
|
4.7
|
14.2
|
1.0
|
|
CA
|
C:GLY114
|
4.8
|
16.1
|
1.0
|
|
CB
|
D:SER22
|
4.8
|
12.9
|
1.0
|
|
N
|
D:ASN103
|
4.8
|
10.1
|
1.0
|
|
CA
|
D:ASN103
|
4.9
|
10.1
|
1.0
|
|
OD1
|
D:ASP99
|
5.0
|
16.2
|
1.0
|
|
Calcium binding site 8 out
of 8 in 9g3k
Go back to
Calcium Binding Sites List in 9g3k
Calcium binding site 8 out
of 8 in the Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Lecb From PA01 in Complex with Synthetic Beta - Fucosylamide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca202
b:12.3
occ:1.00
|
OD1
|
D:ASP99
|
2.4
|
16.2
|
1.0
|
|
OD1
|
D:ASP101
|
2.4
|
13.9
|
1.0
|
|
OE2
|
D:GLU95
|
2.4
|
13.2
|
1.0
|
|
OD2
|
D:ASP104
|
2.4
|
11.0
|
1.0
|
|
OE1
|
D:GLU95
|
2.5
|
13.2
|
1.0
|
|
O3
|
D:R7E203
|
2.5
|
13.6
|
1.0
|
|
O2
|
D:R7E203
|
2.5
|
14.6
|
1.0
|
|
OD1
|
D:ASP104
|
2.6
|
12.0
|
1.0
|
|
CD
|
D:GLU95
|
2.7
|
12.6
|
1.0
|
|
CG
|
D:ASP104
|
2.9
|
11.0
|
1.0
|
|
C2
|
D:R7E203
|
3.3
|
12.2
|
1.0
|
|
CG
|
D:ASP99
|
3.3
|
16.2
|
1.0
|
|
C3
|
D:R7E203
|
3.4
|
13.2
|
1.0
|
|
CG
|
D:ASP101
|
3.4
|
14.3
|
1.0
|
|
OD2
|
D:ASP99
|
3.7
|
14.6
|
1.0
|
|
CA
|
D:CA201
|
3.7
|
12.1
|
1.0
|
|
OD2
|
D:ASP101
|
3.9
|
13.0
|
1.0
|
|
OD1
|
D:ASP96
|
4.1
|
19.2
|
1.0
|
|
N
|
D:ASP101
|
4.2
|
15.2
|
1.0
|
|
O
|
D:HOH373
|
4.2
|
25.2
|
1.0
|
|
CG
|
D:GLU95
|
4.2
|
12.2
|
1.0
|
|
CB
|
D:ASP104
|
4.4
|
9.8
|
1.0
|
|
N
|
D:ASP96
|
4.5
|
10.9
|
1.0
|
|
N
|
D:TYR102
|
4.5
|
11.9
|
1.0
|
|
N
|
D:GLY97
|
4.5
|
15.6
|
1.0
|
|
CB
|
D:ASP101
|
4.5
|
13.3
|
1.0
|
|
N
|
D:ASN100
|
4.6
|
15.4
|
1.0
|
|
CA
|
D:GLU95
|
4.7
|
10.3
|
1.0
|
|
C4
|
D:R7E203
|
4.7
|
12.9
|
1.0
|
|
N
|
D:ASP99
|
4.7
|
15.8
|
1.0
|
|
CB
|
D:ASP99
|
4.7
|
17.3
|
1.0
|
|
CA
|
D:ASP101
|
4.7
|
14.1
|
1.0
|
|
OD1
|
D:ASN103
|
4.7
|
11.7
|
1.0
|
|
C1
|
D:R7E203
|
4.8
|
13.4
|
1.0
|
|
O4
|
D:R7E203
|
4.8
|
14.0
|
1.0
|
|
CB
|
D:GLU95
|
4.8
|
11.1
|
1.0
|
|
CA
|
D:GLY97
|
4.9
|
17.9
|
1.0
|
|
CG
|
D:ASP96
|
5.0
|
15.4
|
1.0
|
|
CA
|
D:ASP99
|
5.0
|
16.3
|
1.0
|
|
Reference:
G.Antonini,
M.Fares,
D.Hauck,
P.Mala,
E.Gillon,
L.Belvisi,
A.Bernardi,
A.Titz,
A.Varrot,
S.Mazzotta.
Towards Dual-Target Glycomimetics Against Two Bacterial Lectins to Fight Pseudomonas Aeruginosa-Burkholderia Cenocepacia Infections: A Biophysical Study J.Med.Chem. 2025.
ISSN: ISSN 0022-2623
Page generated: Thu Jul 10 09:45:23 2025
|
