Calcium in PDB 3dcq: Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0
Protein crystallography data
The structure of Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0, PDB code: 3dcq
was solved by
E.M.Johansson,
S.A.Crusz,
E.Kolomiets,
L.Buts,
R.U.Kadam,
M.Cacciarini,
K.M.Bartels,
S.P.Diggle,
M.Camara,
P.Williams,
R.Loris,
C.Nativi,
F.Rosenau,
K.E.Jaeger,
T.Darbre,
J.L.Reymond,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
20.00 /
1.80
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
51.320,
75.520,
99.030,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
17.6 /
21.1
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0
(pdb code 3dcq). 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 (Pa-Lii) in Complex with the Synthetic Ligand 2G0, PDB code: 3dcq:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 3dcq
Go back to
Calcium Binding Sites List in 3dcq
Calcium binding site 1 out
of 8 in the Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca115
b:15.1
occ:1.00
|
OD1
|
A:ASP99
|
2.4
|
15.2
|
1.0
|
|
OD1
|
A:ASP101
|
2.4
|
11.5
|
1.0
|
|
OD2
|
A:ASP104
|
2.4
|
13.1
|
1.0
|
|
OE2
|
A:GLU95
|
2.5
|
15.7
|
1.0
|
|
O3
|
A:2G0201
|
2.5
|
13.4
|
1.0
|
|
OE1
|
A:GLU95
|
2.5
|
14.3
|
1.0
|
|
O2
|
A:2G0201
|
2.6
|
13.0
|
1.0
|
|
OD1
|
A:ASP104
|
2.7
|
10.7
|
1.0
|
|
CD
|
A:GLU95
|
2.8
|
13.2
|
1.0
|
|
CG
|
A:ASP104
|
2.9
|
13.3
|
1.0
|
|
C2
|
A:2G0201
|
3.3
|
13.5
|
1.0
|
|
C3
|
A:2G0201
|
3.3
|
13.4
|
1.0
|
|
CG
|
A:ASP99
|
3.4
|
17.5
|
1.0
|
|
CG
|
A:ASP101
|
3.5
|
13.0
|
1.0
|
|
CA
|
A:CA116
|
3.7
|
14.6
|
1.0
|
|
OD2
|
A:ASP99
|
3.7
|
16.4
|
1.0
|
|
OD1
|
A:ASP96
|
3.9
|
14.8
|
1.0
|
|
OD2
|
A:ASP101
|
4.0
|
11.9
|
1.0
|
|
N
|
A:ASP101
|
4.0
|
16.4
|
1.0
|
|
O
|
A:HOH215
|
4.1
|
20.0
|
1.0
|
|
CG
|
A:GLU95
|
4.3
|
14.8
|
1.0
|
|
N
|
A:ASN100
|
4.4
|
15.2
|
1.0
|
|
CB
|
A:ASP104
|
4.4
|
9.6
|
1.0
|
|
N
|
A:TYR102
|
4.4
|
13.5
|
1.0
|
|
N
|
A:ASP96
|
4.5
|
12.4
|
1.0
|
|
N
|
A:GLY97
|
4.6
|
15.4
|
1.0
|
|
CB
|
A:ASP101
|
4.6
|
13.8
|
1.0
|
|
C4
|
A:2G0201
|
4.6
|
13.9
|
1.0
|
|
CA
|
A:GLU95
|
4.7
|
13.2
|
1.0
|
|
N
|
A:ASP99
|
4.7
|
16.9
|
1.0
|
|
OD1
|
A:ASN103
|
4.7
|
13.8
|
1.0
|
|
CB
|
A:ASP99
|
4.7
|
17.0
|
1.0
|
|
C1
|
A:2G0201
|
4.7
|
14.4
|
1.0
|
|
CA
|
A:ASP101
|
4.8
|
15.4
|
1.0
|
|
CG
|
A:ASP96
|
4.8
|
14.3
|
1.0
|
|
O4
|
A:2G0201
|
4.8
|
15.9
|
1.0
|
|
C
|
A:ASP99
|
4.9
|
15.0
|
1.0
|
|
CB
|
A:GLU95
|
4.9
|
14.3
|
1.0
|
|
CA
|
A:ASN100
|
4.9
|
15.9
|
1.0
|
|
CA
|
A:ASP99
|
5.0
|
15.9
|
1.0
|
|
N
|
A:ASP104
|
5.0
|
13.2
|
1.0
|
|
C
|
A:ASN100
|
5.0
|
15.5
|
1.0
|
|
C
|
A:ASP101
|
5.0
|
14.7
|
1.0
|
|
Calcium binding site 2 out
of 8 in 3dcq
Go back to
Calcium Binding Sites List in 3dcq
Calcium binding site 2 out
of 8 in the Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca116
b:14.6
occ:1.00
|
OD1
|
A:ASN103
|
2.4
|
13.8
|
1.0
|
|
O
|
A:ASN21
|
2.4
|
10.3
|
1.0
|
|
OD1
|
A:ASP104
|
2.4
|
10.7
|
1.0
|
|
OD2
|
A:ASP101
|
2.5
|
11.9
|
1.0
|
|
O
|
B:GLY114
|
2.5
|
13.5
|
1.0
|
|
O4
|
A:2G0201
|
2.5
|
15.9
|
1.0
|
|
O3
|
A:2G0201
|
2.6
|
13.4
|
1.0
|
|
OD1
|
A:ASP101
|
3.0
|
11.5
|
1.0
|
|
CG
|
A:ASP101
|
3.1
|
13.0
|
1.0
|
|
CG
|
A:ASN103
|
3.4
|
13.3
|
1.0
|
|
C3
|
A:2G0201
|
3.4
|
13.4
|
1.0
|
|
C4
|
A:2G0201
|
3.4
|
13.9
|
1.0
|
|
C
|
B:GLY114
|
3.4
|
16.7
|
1.0
|
|
C
|
A:ASN21
|
3.6
|
12.0
|
1.0
|
|
CG
|
A:ASP104
|
3.7
|
13.3
|
1.0
|
|
CA
|
A:CA115
|
3.7
|
15.1
|
1.0
|
|
OXT
|
B:GLY114
|
3.7
|
17.3
|
1.0
|
|
ND2
|
A:ASN103
|
3.7
|
11.5
|
1.0
|
|
C2
|
A:2G0201
|
3.8
|
13.5
|
1.0
|
|
CB
|
A:ASN21
|
4.1
|
11.8
|
1.0
|
|
N
|
A:ASP104
|
4.1
|
13.2
|
1.0
|
|
CA
|
A:ASP104
|
4.2
|
13.2
|
1.0
|
|
CA
|
A:SER22
|
4.4
|
13.2
|
1.0
|
|
C
|
A:ASN103
|
4.4
|
13.1
|
1.0
|
|
N
|
A:SER22
|
4.4
|
11.8
|
1.0
|
|
O
|
A:HOH216
|
4.4
|
18.5
|
1.0
|
|
OD2
|
A:ASP104
|
4.5
|
13.1
|
1.0
|
|
CA
|
A:ASN21
|
4.5
|
12.0
|
1.0
|
|
O2
|
A:2G0201
|
4.5
|
13.0
|
1.0
|
|
OD2
|
A:ASP99
|
4.5
|
16.4
|
1.0
|
|
CB
|
A:ASP104
|
4.5
|
9.6
|
1.0
|
|
CB
|
A:ASP101
|
4.6
|
13.8
|
1.0
|
|
CB
|
A:SER22
|
4.6
|
12.5
|
1.0
|
|
CB
|
A:ASN103
|
4.7
|
11.1
|
1.0
|
|
C5
|
A:2G0201
|
4.8
|
14.5
|
1.0
|
|
O
|
A:ASN103
|
4.8
|
12.2
|
1.0
|
|
CA
|
B:GLY114
|
4.8
|
15.0
|
1.0
|
|
N
|
A:ASN103
|
4.8
|
13.4
|
1.0
|
|
CA
|
A:ASN103
|
5.0
|
12.5
|
1.0
|
|
OD1
|
A:ASP99
|
5.0
|
15.2
|
1.0
|
|
O5
|
A:2G0201
|
5.0
|
15.7
|
1.0
|
|
Calcium binding site 3 out
of 8 in 3dcq
Go back to
Calcium Binding Sites List in 3dcq
Calcium binding site 3 out
of 8 in the Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca115
b:15.2
occ:1.00
|
OD1
|
B:ASP99
|
2.4
|
15.0
|
1.0
|
|
OD1
|
B:ASP101
|
2.4
|
13.7
|
1.0
|
|
O3
|
B:2G0201
|
2.5
|
13.8
|
1.0
|
|
OD2
|
B:ASP104
|
2.5
|
11.6
|
1.0
|
|
OE2
|
B:GLU95
|
2.5
|
14.7
|
1.0
|
|
O2
|
B:2G0201
|
2.6
|
13.6
|
1.0
|
|
OE1
|
B:GLU95
|
2.6
|
12.5
|
1.0
|
|
OD1
|
B:ASP104
|
2.7
|
10.9
|
1.0
|
|
CD
|
B:GLU95
|
2.9
|
14.0
|
1.0
|
|
CG
|
B:ASP104
|
2.9
|
13.6
|
1.0
|
|
C2
|
B:2G0201
|
3.3
|
14.1
|
1.0
|
|
C3
|
B:2G0201
|
3.3
|
13.7
|
1.0
|
|
CG
|
B:ASP99
|
3.4
|
17.8
|
1.0
|
|
CG
|
B:ASP101
|
3.5
|
15.3
|
1.0
|
|
OD2
|
B:ASP99
|
3.6
|
16.9
|
1.0
|
|
CA
|
B:CA116
|
3.7
|
15.2
|
1.0
|
|
O
|
B:HOH266
|
4.0
|
23.9
|
1.0
|
|
OD2
|
B:ASP101
|
4.0
|
14.5
|
1.0
|
|
N
|
B:ASP101
|
4.1
|
14.8
|
1.0
|
|
OD1
|
B:ASP96
|
4.1
|
14.8
|
1.0
|
|
CG
|
B:GLU95
|
4.4
|
13.3
|
1.0
|
|
N
|
B:TYR102
|
4.4
|
13.2
|
1.0
|
|
CB
|
B:ASP104
|
4.4
|
11.7
|
1.0
|
|
N
|
B:ASP96
|
4.5
|
11.7
|
1.0
|
|
N
|
B:GLY97
|
4.5
|
13.7
|
1.0
|
|
N
|
B:ASN100
|
4.5
|
14.6
|
1.0
|
|
CB
|
B:ASP101
|
4.6
|
13.9
|
1.0
|
|
C4
|
B:2G0201
|
4.6
|
14.5
|
1.0
|
|
CA
|
B:GLU95
|
4.7
|
11.8
|
1.0
|
|
OD1
|
B:ASN103
|
4.7
|
11.2
|
1.0
|
|
CB
|
B:ASP99
|
4.7
|
15.2
|
1.0
|
|
C1
|
B:2G0201
|
4.7
|
16.3
|
1.0
|
|
CA
|
B:ASP101
|
4.8
|
14.0
|
1.0
|
|
O4
|
B:2G0201
|
4.8
|
12.9
|
1.0
|
|
N
|
B:ASP99
|
4.8
|
15.6
|
1.0
|
|
CG
|
B:ASP96
|
4.9
|
14.2
|
1.0
|
|
N
|
B:ASP104
|
4.9
|
12.4
|
1.0
|
|
CB
|
B:GLU95
|
5.0
|
12.2
|
1.0
|
|
C
|
B:ASP99
|
5.0
|
16.0
|
1.0
|
|
CA
|
B:GLY97
|
5.0
|
14.5
|
1.0
|
|
C
|
B:ASP101
|
5.0
|
14.7
|
1.0
|
|
CA
|
B:ASN100
|
5.0
|
15.9
|
1.0
|
|
Calcium binding site 4 out
of 8 in 3dcq
Go back to
Calcium Binding Sites List in 3dcq
Calcium binding site 4 out
of 8 in the Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca116
b:15.2
occ:1.00
|
OD1
|
B:ASN103
|
2.4
|
11.2
|
1.0
|
|
O
|
B:ASN21
|
2.4
|
14.4
|
1.0
|
|
OD1
|
B:ASP104
|
2.5
|
10.9
|
1.0
|
|
O4
|
B:2G0201
|
2.5
|
12.9
|
1.0
|
|
O
|
A:GLY114
|
2.5
|
13.2
|
1.0
|
|
OD2
|
B:ASP101
|
2.5
|
14.5
|
1.0
|
|
O3
|
B:2G0201
|
2.6
|
13.8
|
1.0
|
|
OD1
|
B:ASP101
|
3.1
|
13.7
|
1.0
|
|
CG
|
B:ASP101
|
3.2
|
15.3
|
1.0
|
|
C3
|
B:2G0201
|
3.3
|
13.7
|
1.0
|
|
C4
|
B:2G0201
|
3.4
|
14.5
|
1.0
|
|
CG
|
B:ASN103
|
3.4
|
13.9
|
1.0
|
|
C
|
A:GLY114
|
3.4
|
14.2
|
1.0
|
|
C
|
B:ASN21
|
3.6
|
13.7
|
1.0
|
|
OXT
|
A:GLY114
|
3.6
|
15.0
|
1.0
|
|
CA
|
B:CA115
|
3.7
|
15.2
|
1.0
|
|
CG
|
B:ASP104
|
3.7
|
13.6
|
1.0
|
|
C2
|
B:2G0201
|
3.7
|
14.1
|
1.0
|
|
ND2
|
B:ASN103
|
3.8
|
13.2
|
1.0
|
|
N
|
B:ASP104
|
4.1
|
12.4
|
1.0
|
|
CB
|
B:ASN21
|
4.2
|
13.6
|
1.0
|
|
CA
|
B:ASP104
|
4.2
|
12.9
|
1.0
|
|
CA
|
B:SER22
|
4.3
|
14.2
|
1.0
|
|
C
|
B:ASN103
|
4.4
|
12.7
|
1.0
|
|
N
|
B:SER22
|
4.4
|
13.3
|
1.0
|
|
O2
|
B:2G0201
|
4.4
|
13.6
|
1.0
|
|
OD2
|
B:ASP99
|
4.4
|
16.9
|
1.0
|
|
CB
|
B:SER22
|
4.4
|
14.1
|
1.0
|
|
O
|
B:HOH232
|
4.5
|
20.7
|
1.0
|
|
OD2
|
B:ASP104
|
4.5
|
11.6
|
1.0
|
|
CB
|
B:ASP104
|
4.5
|
11.7
|
1.0
|
|
CA
|
B:ASN21
|
4.6
|
13.6
|
1.0
|
|
CB
|
B:ASP101
|
4.6
|
13.9
|
1.0
|
|
C5
|
B:2G0201
|
4.7
|
14.7
|
1.0
|
|
CB
|
B:ASN103
|
4.7
|
10.8
|
1.0
|
|
O
|
B:ASN103
|
4.7
|
13.5
|
1.0
|
|
CA
|
A:GLY114
|
4.8
|
11.9
|
1.0
|
|
N
|
B:ASN103
|
4.8
|
13.2
|
1.0
|
|
CA
|
B:ASN103
|
4.9
|
12.8
|
1.0
|
|
O5
|
B:2G0201
|
5.0
|
15.0
|
1.0
|
|
Calcium binding site 5 out
of 8 in 3dcq
Go back to
Calcium Binding Sites List in 3dcq
Calcium binding site 5 out
of 8 in the Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca115
b:19.4
occ:1.00
|
OD2
|
C:ASP101
|
2.4
|
16.2
|
1.0
|
|
OD1
|
C:ASN103
|
2.4
|
16.4
|
1.0
|
|
OD1
|
C:ASP104
|
2.5
|
16.1
|
1.0
|
|
O
|
C:ASN21
|
2.5
|
16.1
|
1.0
|
|
O4
|
C:2G0201
|
2.5
|
20.4
|
1.0
|
|
O
|
D:GLY114
|
2.5
|
22.6
|
1.0
|
|
O3
|
C:2G0201
|
2.5
|
22.1
|
1.0
|
|
OD1
|
C:ASP101
|
3.0
|
16.4
|
1.0
|
|
CG
|
C:ASP101
|
3.1
|
18.0
|
1.0
|
|
C3
|
C:2G0201
|
3.4
|
21.3
|
1.0
|
|
C
|
D:GLY114
|
3.4
|
23.4
|
1.0
|
|
CG
|
C:ASN103
|
3.4
|
16.1
|
1.0
|
|
C4
|
C:2G0201
|
3.4
|
20.9
|
1.0
|
|
OXT
|
D:GLY114
|
3.5
|
25.0
|
1.0
|
|
C
|
C:ASN21
|
3.6
|
17.0
|
1.0
|
|
CG
|
C:ASP104
|
3.7
|
16.3
|
1.0
|
|
CA
|
C:CA116
|
3.7
|
19.4
|
1.0
|
|
C2
|
C:2G0201
|
3.7
|
20.4
|
1.0
|
|
ND2
|
C:ASN103
|
3.8
|
17.4
|
1.0
|
|
N
|
C:ASP104
|
4.1
|
16.1
|
1.0
|
|
CB
|
C:ASN21
|
4.1
|
14.6
|
1.0
|
|
CA
|
C:ASP104
|
4.2
|
14.8
|
1.0
|
|
O
|
C:HOH244
|
4.3
|
31.6
|
1.0
|
|
OD2
|
C:ASP99
|
4.3
|
23.7
|
1.0
|
|
C
|
C:ASN103
|
4.4
|
14.1
|
1.0
|
|
CA
|
C:SER22
|
4.4
|
18.3
|
1.0
|
|
OD2
|
C:ASP104
|
4.4
|
16.3
|
1.0
|
|
O2
|
C:2G0201
|
4.5
|
18.6
|
1.0
|
|
N
|
C:SER22
|
4.5
|
17.7
|
1.0
|
|
CB
|
C:SER22
|
4.5
|
16.0
|
1.0
|
|
CB
|
C:ASP101
|
4.5
|
17.7
|
1.0
|
|
CB
|
C:ASP104
|
4.5
|
14.8
|
1.0
|
|
CA
|
C:ASN21
|
4.6
|
15.4
|
1.0
|
|
C5
|
C:2G0201
|
4.7
|
18.5
|
1.0
|
|
CB
|
C:ASN103
|
4.7
|
14.8
|
1.0
|
|
O
|
C:ASN103
|
4.8
|
14.7
|
1.0
|
|
CA
|
D:GLY114
|
4.8
|
22.2
|
1.0
|
|
N
|
C:ASN103
|
4.8
|
14.6
|
1.0
|
|
O5
|
C:2G0201
|
4.9
|
21.2
|
1.0
|
|
CA
|
C:ASN103
|
4.9
|
14.9
|
1.0
|
|
C1
|
C:2G0201
|
5.0
|
20.0
|
1.0
|
|
Calcium binding site 6 out
of 8 in 3dcq
Go back to
Calcium Binding Sites List in 3dcq
Calcium binding site 6 out
of 8 in the Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca116
b:19.4
occ:1.00
|
OD1
|
C:ASP99
|
2.4
|
20.9
|
1.0
|
|
OD1
|
C:ASP101
|
2.4
|
16.4
|
1.0
|
|
OD2
|
C:ASP104
|
2.4
|
16.3
|
1.0
|
|
O3
|
C:2G0201
|
2.5
|
22.1
|
1.0
|
|
OE2
|
C:GLU95
|
2.6
|
21.1
|
1.0
|
|
O2
|
C:2G0201
|
2.6
|
18.6
|
1.0
|
|
OE1
|
C:GLU95
|
2.6
|
18.6
|
1.0
|
|
OD1
|
C:ASP104
|
2.7
|
16.1
|
1.0
|
|
CD
|
C:GLU95
|
2.9
|
20.2
|
1.0
|
|
CG
|
C:ASP104
|
2.9
|
16.3
|
1.0
|
|
C2
|
C:2G0201
|
3.3
|
20.4
|
1.0
|
|
CG
|
C:ASP99
|
3.3
|
22.6
|
1.0
|
|
C3
|
C:2G0201
|
3.4
|
21.3
|
1.0
|
|
CG
|
C:ASP101
|
3.4
|
18.0
|
1.0
|
|
OD2
|
C:ASP99
|
3.6
|
23.7
|
1.0
|
|
CA
|
C:CA115
|
3.7
|
19.4
|
1.0
|
|
OD2
|
C:ASP101
|
3.9
|
16.2
|
1.0
|
|
O
|
C:HOH251
|
3.9
|
26.7
|
1.0
|
|
OD1
|
C:ASP96
|
4.0
|
23.1
|
1.0
|
|
N
|
C:ASP101
|
4.1
|
20.1
|
1.0
|
|
CG
|
C:GLU95
|
4.4
|
18.1
|
1.0
|
|
N
|
C:ASN100
|
4.4
|
22.7
|
1.0
|
|
CB
|
C:ASP104
|
4.4
|
14.8
|
1.0
|
|
N
|
C:GLY97
|
4.4
|
20.8
|
1.0
|
|
N
|
C:TYR102
|
4.5
|
17.6
|
1.0
|
|
N
|
C:ASP96
|
4.5
|
17.1
|
1.0
|
|
CB
|
C:ASP101
|
4.6
|
17.7
|
1.0
|
|
CB
|
C:ASP99
|
4.7
|
22.9
|
1.0
|
|
C4
|
C:2G0201
|
4.7
|
20.9
|
1.0
|
|
C1
|
C:2G0201
|
4.7
|
20.0
|
1.0
|
|
OD1
|
C:ASN103
|
4.7
|
16.4
|
1.0
|
|
CA
|
C:GLU95
|
4.8
|
17.8
|
1.0
|
|
N
|
C:ASP99
|
4.8
|
24.2
|
1.0
|
|
CA
|
C:ASP101
|
4.8
|
19.6
|
1.0
|
|
O4
|
C:2G0201
|
4.8
|
20.4
|
1.0
|
|
CG
|
C:ASP96
|
4.9
|
18.9
|
1.0
|
|
CA
|
C:GLY97
|
4.9
|
23.1
|
1.0
|
|
N
|
C:ASP104
|
4.9
|
16.1
|
1.0
|
|
CA
|
C:ASN100
|
4.9
|
22.6
|
1.0
|
|
C
|
C:ASP99
|
4.9
|
22.4
|
1.0
|
|
Calcium binding site 7 out
of 8 in 3dcq
Go back to
Calcium Binding Sites List in 3dcq
Calcium binding site 7 out
of 8 in the Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca115
b:17.1
occ:1.00
|
OD2
|
D:ASP101
|
2.4
|
16.0
|
1.0
|
|
OD1
|
D:ASP99
|
2.4
|
15.3
|
1.0
|
|
OE2
|
D:GLU95
|
2.5
|
16.5
|
1.0
|
|
OD2
|
D:ASP104
|
2.5
|
13.9
|
1.0
|
|
OE1
|
D:GLU95
|
2.6
|
13.1
|
1.0
|
|
O2
|
D:2G0201
|
2.6
|
16.7
|
1.0
|
|
O3
|
D:2G0201
|
2.6
|
16.4
|
1.0
|
|
OD1
|
D:ASP104
|
2.7
|
14.5
|
1.0
|
|
CD
|
D:GLU95
|
2.9
|
15.8
|
1.0
|
|
CG
|
D:ASP104
|
3.0
|
13.7
|
1.0
|
|
C2
|
D:2G0201
|
3.3
|
17.8
|
1.0
|
|
CG
|
D:ASP101
|
3.4
|
15.6
|
1.0
|
|
C3
|
D:2G0201
|
3.4
|
15.8
|
1.0
|
|
CG
|
D:ASP99
|
3.4
|
18.2
|
1.0
|
|
CA
|
D:CA116
|
3.7
|
16.1
|
1.0
|
|
OD2
|
D:ASP99
|
3.7
|
14.9
|
1.0
|
|
OD1
|
D:ASP101
|
3.9
|
17.4
|
1.0
|
|
N
|
D:ASP101
|
4.0
|
17.2
|
1.0
|
|
OD1
|
D:ASP96
|
4.1
|
16.9
|
1.0
|
|
O
|
D:HOH225
|
4.1
|
21.2
|
1.0
|
|
CG
|
D:GLU95
|
4.3
|
15.1
|
1.0
|
|
N
|
D:TYR102
|
4.4
|
15.0
|
1.0
|
|
N
|
D:ASN100
|
4.4
|
17.6
|
1.0
|
|
N
|
D:GLY97
|
4.4
|
17.4
|
1.0
|
|
CB
|
D:ASP104
|
4.4
|
12.6
|
1.0
|
|
N
|
D:ASP96
|
4.5
|
14.3
|
1.0
|
|
CB
|
D:ASP101
|
4.6
|
15.6
|
1.0
|
|
CA
|
D:GLU95
|
4.7
|
12.7
|
1.0
|
|
CA
|
D:ASP101
|
4.7
|
16.4
|
1.0
|
|
C4
|
D:2G0201
|
4.7
|
17.0
|
1.0
|
|
OD1
|
D:ASN103
|
4.7
|
16.2
|
1.0
|
|
C1
|
D:2G0201
|
4.7
|
19.8
|
1.0
|
|
CB
|
D:ASP99
|
4.7
|
16.5
|
1.0
|
|
N
|
D:ASP99
|
4.8
|
19.1
|
1.0
|
|
O4
|
D:2G0201
|
4.8
|
14.4
|
1.0
|
|
CG
|
D:ASP96
|
4.9
|
16.6
|
1.0
|
|
CA
|
D:ASN100
|
4.9
|
18.6
|
1.0
|
|
CA
|
D:GLY97
|
4.9
|
18.1
|
1.0
|
|
CB
|
D:GLU95
|
4.9
|
13.6
|
1.0
|
|
C
|
D:ASN100
|
4.9
|
18.1
|
1.0
|
|
C
|
D:ASP101
|
4.9
|
15.6
|
1.0
|
|
N
|
D:ASP104
|
4.9
|
11.8
|
1.0
|
|
C
|
D:ASP99
|
5.0
|
18.6
|
1.0
|
|
Calcium binding site 8 out
of 8 in 3dcq
Go back to
Calcium Binding Sites List in 3dcq
Calcium binding site 8 out
of 8 in the Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Lecb (Pa-Lii) in Complex with the Synthetic Ligand 2G0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca116
b:16.1
occ:1.00
|
O
|
D:ASN21
|
2.4
|
13.7
|
1.0
|
|
OD1
|
D:ASN103
|
2.4
|
16.2
|
1.0
|
|
OD1
|
D:ASP104
|
2.4
|
14.5
|
1.0
|
|
OD1
|
D:ASP101
|
2.4
|
17.4
|
1.0
|
|
O4
|
D:2G0201
|
2.5
|
14.4
|
1.0
|
|
O
|
C:GLY114
|
2.5
|
18.2
|
1.0
|
|
O3
|
D:2G0201
|
2.6
|
16.4
|
1.0
|
|
OD2
|
D:ASP101
|
3.0
|
16.0
|
1.0
|
|
CG
|
D:ASP101
|
3.1
|
15.6
|
1.0
|
|
C3
|
D:2G0201
|
3.4
|
15.8
|
1.0
|
|
C4
|
D:2G0201
|
3.4
|
17.0
|
1.0
|
|
CG
|
D:ASN103
|
3.4
|
15.8
|
1.0
|
|
C
|
C:GLY114
|
3.4
|
18.4
|
1.0
|
|
C
|
D:ASN21
|
3.6
|
13.9
|
1.0
|
|
CG
|
D:ASP104
|
3.7
|
13.7
|
1.0
|
|
C2
|
D:2G0201
|
3.7
|
17.8
|
1.0
|
|
CA
|
D:CA115
|
3.7
|
17.1
|
1.0
|
|
OXT
|
C:GLY114
|
3.7
|
19.8
|
1.0
|
|
ND2
|
D:ASN103
|
3.8
|
15.5
|
1.0
|
|
N
|
D:ASP104
|
4.1
|
11.8
|
1.0
|
|
CA
|
D:ASP104
|
4.2
|
12.3
|
1.0
|
|
CB
|
D:ASN21
|
4.2
|
12.9
|
1.0
|
|
CA
|
D:SER22
|
4.3
|
15.1
|
1.0
|
|
C
|
D:ASN103
|
4.3
|
12.9
|
1.0
|
|
O2
|
D:2G0201
|
4.4
|
16.7
|
1.0
|
|
N
|
D:SER22
|
4.4
|
13.7
|
1.0
|
|
OD2
|
D:ASP99
|
4.5
|
14.9
|
1.0
|
|
O
|
D:HOH229
|
4.5
|
22.5
|
1.0
|
|
OD2
|
D:ASP104
|
4.5
|
13.9
|
1.0
|
|
CB
|
D:ASP104
|
4.5
|
12.6
|
1.0
|
|
CB
|
D:SER22
|
4.5
|
13.4
|
1.0
|
|
CB
|
D:ASP101
|
4.5
|
15.6
|
1.0
|
|
CA
|
D:ASN21
|
4.5
|
12.8
|
1.0
|
|
O
|
D:ASN103
|
4.7
|
13.2
|
1.0
|
|
C5
|
D:2G0201
|
4.7
|
17.7
|
1.0
|
|
CB
|
D:ASN103
|
4.7
|
14.1
|
1.0
|
|
N
|
D:ASN103
|
4.8
|
13.7
|
1.0
|
|
CA
|
C:GLY114
|
4.8
|
16.0
|
1.0
|
|
C1
|
D:2G0201
|
4.9
|
19.8
|
1.0
|
|
CA
|
D:ASN103
|
4.9
|
12.6
|
1.0
|
|
O5
|
D:2G0201
|
4.9
|
20.1
|
1.0
|
|
OD1
|
D:ASP99
|
5.0
|
15.3
|
1.0
|
|
Reference:
E.M.Johansson,
S.A.Crusz,
E.Kolomiets,
L.Buts,
R.U.Kadam,
M.Cacciarini,
K.M.Bartels,
S.P.Diggle,
M.Camara,
P.Williams,
R.Loris,
C.Nativi,
F.Rosenau,
K.E.Jaeger,
T.Darbre,
J.L.Reymond.
Inhibition and Dispersion of Pseudomonas Aeruginosa Biofilms By Glycopeptide Dendrimers Targeting the Fucose-Specific Lectin Lecb. Chem.Biol. V. 15 1249 2008.
ISSN: ISSN 1074-5521
PubMed: 19101469
DOI: 10.1016/J.CHEMBIOL.2008.10.009
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