Calcium in PDB 4aoc: Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside
Protein crystallography data
The structure of Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside, PDB code: 4aoc
was solved by
R.Marchetti,
L.Malinovska,
E.Lameignere,
C.Decastro,
G.Cioci,
P.Kosma,
M.Wimmerova,
A.Molinaro,
A.Imberty,
A.Silipo,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
93.11 /
2.70
|
|
Space group
|
C 2 2 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
50.000,
185.140,
186.210,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
19.228 /
25.32
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside
(pdb code 4aoc). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the
Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside, PDB code: 4aoc:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 10 in 4aoc
Go back to
Calcium Binding Sites List in 4aoc
Calcium binding site 1 out
of 10 in the Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside
 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 BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1129
b:17.5
occ:1.00
|
OD2
|
A:ASP115
|
2.2
|
12.5
|
1.0
|
|
OD1
|
A:ASN117
|
2.2
|
16.2
|
1.0
|
|
O
|
B:GLY128
|
2.3
|
18.8
|
1.0
|
|
OD1
|
A:ASP118
|
2.4
|
13.8
|
1.0
|
|
O
|
A:ASN28
|
2.4
|
15.3
|
1.0
|
|
O3
|
A:A1Q1131
|
2.5
|
13.0
|
1.0
|
|
O2
|
A:A1Q1131
|
2.5
|
13.7
|
1.0
|
|
CG
|
A:ASP115
|
3.0
|
13.1
|
1.0
|
|
OD1
|
A:ASP115
|
3.1
|
13.5
|
1.0
|
|
C3
|
A:A1Q1131
|
3.3
|
13.6
|
1.0
|
|
CG
|
A:ASN117
|
3.3
|
15.7
|
1.0
|
|
C
|
B:GLY128
|
3.4
|
19.3
|
1.0
|
|
C2
|
A:A1Q1131
|
3.4
|
13.8
|
1.0
|
|
C
|
A:ASN28
|
3.6
|
15.5
|
1.0
|
|
CG
|
A:ASP118
|
3.6
|
14.0
|
1.0
|
|
OXT
|
B:GLY128
|
3.7
|
18.8
|
1.0
|
|
C4
|
A:A1Q1131
|
3.8
|
13.8
|
1.0
|
|
ND2
|
A:ASN117
|
3.8
|
16.0
|
1.0
|
|
CA
|
A:CA1130
|
3.8
|
13.3
|
1.0
|
|
CB
|
A:ASN28
|
3.9
|
15.3
|
1.0
|
|
CA
|
A:ASP118
|
4.2
|
14.4
|
1.0
|
|
N
|
A:ASP118
|
4.2
|
14.4
|
1.0
|
|
C
|
A:ASN117
|
4.3
|
14.9
|
1.0
|
|
CB
|
A:ASP115
|
4.4
|
13.2
|
1.0
|
|
CA
|
A:ASN28
|
4.4
|
15.5
|
1.0
|
|
CB
|
A:ASP118
|
4.4
|
14.2
|
1.0
|
|
O4
|
A:A1Q1131
|
4.5
|
14.2
|
1.0
|
|
OD2
|
A:ASP118
|
4.5
|
13.6
|
1.0
|
|
N
|
A:ALA29
|
4.5
|
15.3
|
1.0
|
|
O
|
A:ASN117
|
4.6
|
14.9
|
1.0
|
|
CB
|
A:ASN117
|
4.6
|
15.5
|
1.0
|
|
CA
|
A:ALA29
|
4.7
|
16.2
|
1.0
|
|
C1
|
A:A1Q1131
|
4.7
|
14.0
|
1.0
|
|
CA
|
B:GLY128
|
4.7
|
19.4
|
1.0
|
|
N
|
A:ASN117
|
4.8
|
15.5
|
1.0
|
|
OD2
|
A:ASP113
|
4.8
|
13.8
|
1.0
|
|
OD1
|
A:ASP113
|
4.8
|
13.1
|
1.0
|
|
CA
|
A:ASN117
|
4.8
|
15.3
|
1.0
|
|
O5
|
A:A1Q1131
|
4.9
|
13.9
|
1.0
|
|
CB
|
A:ALA29
|
5.0
|
16.4
|
1.0
|
|
Calcium binding site 2 out
of 10 in 4aoc
Go back to
Calcium Binding Sites List in 4aoc
Calcium binding site 2 out
of 10 in the Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside
 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 BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1130
b:13.3
occ:1.00
|
OE1
|
A:GLU109
|
2.1
|
14.9
|
1.0
|
|
OD1
|
A:ASP113
|
2.2
|
13.1
|
1.0
|
|
O4
|
A:A1Q1131
|
2.3
|
14.2
|
1.0
|
|
OD2
|
A:ASP118
|
2.4
|
13.6
|
1.0
|
|
OD1
|
A:ASP115
|
2.4
|
13.5
|
1.0
|
|
OE2
|
A:GLU109
|
2.5
|
15.3
|
1.0
|
|
O3
|
A:A1Q1131
|
2.5
|
13.0
|
1.0
|
|
OD1
|
A:ASP118
|
2.5
|
13.8
|
1.0
|
|
CD
|
A:GLU109
|
2.6
|
15.1
|
1.0
|
|
CG
|
A:ASP118
|
2.8
|
14.0
|
1.0
|
|
C4
|
A:A1Q1131
|
3.1
|
13.8
|
1.0
|
|
C3
|
A:A1Q1131
|
3.3
|
13.6
|
1.0
|
|
CG
|
A:ASP113
|
3.3
|
13.8
|
1.0
|
|
CG
|
A:ASP115
|
3.5
|
13.1
|
1.0
|
|
CA
|
A:CA1129
|
3.8
|
17.5
|
1.0
|
|
OD2
|
A:ASP113
|
3.8
|
13.8
|
1.0
|
|
OD1
|
A:ASP110
|
3.9
|
17.1
|
1.0
|
|
OD2
|
A:ASP115
|
3.9
|
12.5
|
1.0
|
|
CG
|
A:GLU109
|
4.1
|
14.9
|
1.0
|
|
N
|
A:ASP115
|
4.2
|
13.2
|
1.0
|
|
N
|
A:ASP113
|
4.2
|
15.2
|
1.0
|
|
CB
|
A:ASP118
|
4.3
|
14.2
|
1.0
|
|
N
|
A:TYR116
|
4.4
|
14.7
|
1.0
|
|
N
|
A:ASP110
|
4.5
|
15.5
|
1.0
|
|
CB
|
A:ASP113
|
4.5
|
14.0
|
1.0
|
|
C
|
A:ASP113
|
4.6
|
13.4
|
1.0
|
|
C5
|
A:A1Q1131
|
4.6
|
14.3
|
1.0
|
|
CG
|
A:ASP110
|
4.6
|
16.8
|
1.0
|
|
CA
|
A:GLU109
|
4.6
|
15.5
|
1.0
|
|
CA
|
A:ASP113
|
4.6
|
14.1
|
1.0
|
|
C2
|
A:A1Q1131
|
4.7
|
13.8
|
1.0
|
|
CB
|
A:GLU109
|
4.7
|
15.3
|
1.0
|
|
CB
|
A:ASP115
|
4.7
|
13.2
|
1.0
|
|
N
|
A:SER114
|
4.7
|
13.1
|
1.0
|
|
CA
|
A:ASP115
|
4.8
|
13.4
|
1.0
|
|
OD1
|
A:ASN117
|
4.9
|
16.2
|
1.0
|
|
O
|
A:ASP113
|
4.9
|
13.1
|
1.0
|
|
O2
|
A:A1Q1131
|
4.9
|
13.7
|
1.0
|
|
OD2
|
A:ASP110
|
5.0
|
17.6
|
1.0
|
|
N
|
A:HIS112
|
5.0
|
16.2
|
1.0
|
|
N
|
A:GLY111
|
5.0
|
15.9
|
1.0
|
|
Calcium binding site 3 out
of 10 in 4aoc
Go back to
Calcium Binding Sites List in 4aoc
Calcium binding site 3 out
of 10 in the Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside
 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 BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1129
b:17.3
occ:1.00
|
O
|
A:GLY128
|
2.3
|
22.1
|
1.0
|
|
OD1
|
B:ASN117
|
2.3
|
16.5
|
1.0
|
|
O
|
B:ASN28
|
2.3
|
16.0
|
1.0
|
|
OD2
|
B:ASP115
|
2.4
|
17.0
|
1.0
|
|
OD1
|
B:ASP118
|
2.5
|
21.6
|
1.0
|
|
O2
|
B:A1Q1131
|
2.5
|
18.4
|
1.0
|
|
O3
|
B:A1Q1131
|
2.5
|
17.7
|
1.0
|
|
OD1
|
B:ASP115
|
3.0
|
17.1
|
1.0
|
|
CG
|
B:ASP115
|
3.0
|
17.4
|
1.0
|
|
C
|
A:GLY128
|
3.3
|
22.4
|
1.0
|
|
CG
|
B:ASN117
|
3.3
|
16.4
|
1.0
|
|
C3
|
B:A1Q1131
|
3.4
|
18.2
|
1.0
|
|
C2
|
B:A1Q1131
|
3.5
|
18.2
|
1.0
|
|
C
|
B:ASN28
|
3.5
|
16.4
|
1.0
|
|
OXT
|
A:GLY128
|
3.5
|
21.6
|
1.0
|
|
CA
|
B:CA1130
|
3.7
|
15.5
|
1.0
|
|
CG
|
B:ASP118
|
3.7
|
20.3
|
1.0
|
|
C4
|
B:A1Q1131
|
3.7
|
18.5
|
1.0
|
|
ND2
|
B:ASN117
|
3.8
|
16.2
|
1.0
|
|
CB
|
B:ASN28
|
4.1
|
15.1
|
1.0
|
|
CA
|
B:ASP118
|
4.2
|
18.3
|
1.0
|
|
O4
|
B:A1Q1131
|
4.3
|
17.8
|
1.0
|
|
N
|
B:ASP118
|
4.3
|
17.8
|
1.0
|
|
N
|
B:ALA29
|
4.4
|
17.2
|
1.0
|
|
C
|
B:ASN117
|
4.4
|
17.5
|
1.0
|
|
CA
|
B:ASN28
|
4.4
|
15.7
|
1.0
|
|
OD2
|
B:ASP113
|
4.5
|
18.0
|
1.0
|
|
CA
|
B:ALA29
|
4.5
|
18.2
|
1.0
|
|
CB
|
B:ASP115
|
4.5
|
17.3
|
1.0
|
|
CB
|
B:ASP118
|
4.5
|
19.4
|
1.0
|
|
CA
|
A:GLY128
|
4.6
|
22.2
|
1.0
|
|
OD2
|
B:ASP118
|
4.6
|
20.9
|
1.0
|
|
O
|
B:ASN117
|
4.6
|
17.2
|
1.0
|
|
CB
|
B:ASN117
|
4.7
|
16.6
|
1.0
|
|
C1
|
B:A1Q1131
|
4.8
|
18.5
|
1.0
|
|
N
|
B:ASN117
|
4.8
|
17.6
|
1.0
|
|
CA
|
B:ASN117
|
4.9
|
17.0
|
1.0
|
|
OD1
|
B:ASP113
|
4.9
|
20.1
|
1.0
|
|
CB
|
B:ALA29
|
5.0
|
18.1
|
1.0
|
|
Calcium binding site 4 out
of 10 in 4aoc
Go back to
Calcium Binding Sites List in 4aoc
Calcium binding site 4 out
of 10 in the Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside
 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 BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1130
b:15.5
occ:1.00
|
OE1
|
B:GLU109
|
2.2
|
18.4
|
1.0
|
|
OD1
|
B:ASP113
|
2.4
|
20.1
|
1.0
|
|
O3
|
B:A1Q1131
|
2.4
|
17.7
|
1.0
|
|
O4
|
B:A1Q1131
|
2.5
|
17.8
|
1.0
|
|
OD1
|
B:ASP115
|
2.5
|
17.1
|
1.0
|
|
OD2
|
B:ASP118
|
2.5
|
20.9
|
1.0
|
|
OD1
|
B:ASP118
|
2.5
|
21.6
|
1.0
|
|
OE2
|
B:GLU109
|
2.6
|
20.5
|
1.0
|
|
CD
|
B:GLU109
|
2.8
|
19.9
|
1.0
|
|
CG
|
B:ASP118
|
2.8
|
20.3
|
1.0
|
|
CG
|
B:ASP113
|
3.1
|
19.4
|
1.0
|
|
C4
|
B:A1Q1131
|
3.3
|
18.5
|
1.0
|
|
C3
|
B:A1Q1131
|
3.3
|
18.2
|
1.0
|
|
OD2
|
B:ASP113
|
3.4
|
18.0
|
1.0
|
|
CG
|
B:ASP115
|
3.5
|
17.4
|
1.0
|
|
CA
|
B:CA1129
|
3.7
|
17.3
|
1.0
|
|
OD1
|
B:ASP110
|
3.9
|
19.1
|
1.0
|
|
OD2
|
B:ASP115
|
4.0
|
17.0
|
1.0
|
|
N
|
B:ASP115
|
4.3
|
18.5
|
1.0
|
|
CG
|
B:GLU109
|
4.3
|
20.0
|
1.0
|
|
N
|
B:ASP113
|
4.3
|
21.3
|
1.0
|
|
CB
|
B:ASP118
|
4.3
|
19.4
|
1.0
|
|
N
|
B:TYR116
|
4.4
|
18.8
|
1.0
|
|
CB
|
B:ASP113
|
4.4
|
19.4
|
1.0
|
|
C
|
B:ASP113
|
4.4
|
19.8
|
1.0
|
|
O
|
B:ASP113
|
4.6
|
20.2
|
1.0
|
|
N
|
B:ASP110
|
4.6
|
20.3
|
1.0
|
|
CA
|
B:ASP113
|
4.6
|
19.8
|
1.0
|
|
C2
|
B:A1Q1131
|
4.7
|
18.2
|
1.0
|
|
C5
|
B:A1Q1131
|
4.7
|
19.1
|
1.0
|
|
CB
|
B:ASP115
|
4.7
|
17.3
|
1.0
|
|
OD1
|
B:ASN117
|
4.7
|
16.5
|
1.0
|
|
CG
|
B:ASP110
|
4.7
|
19.4
|
1.0
|
|
N
|
B:SER114
|
4.7
|
19.0
|
1.0
|
|
CA
|
B:GLU109
|
4.8
|
19.9
|
1.0
|
|
O2
|
B:A1Q1131
|
4.8
|
18.4
|
1.0
|
|
CA
|
B:ASP115
|
4.8
|
18.0
|
1.0
|
|
CB
|
B:GLU109
|
5.0
|
20.3
|
1.0
|
|
Calcium binding site 5 out
of 10 in 4aoc
Go back to
Calcium Binding Sites List in 4aoc
Calcium binding site 5 out
of 10 in the Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside
 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 BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1129
b:24.1
occ:1.00
|
OD2
|
C:ASP115
|
2.3
|
20.5
|
1.0
|
|
O3
|
C:A1Q1131
|
2.3
|
23.2
|
1.0
|
|
O
|
C:ASN28
|
2.3
|
19.4
|
1.0
|
|
OD1
|
C:ASP118
|
2.3
|
15.7
|
1.0
|
|
OD1
|
C:ASN117
|
2.4
|
18.9
|
1.0
|
|
OXT
|
E:GLY128
|
2.4
|
27.4
|
1.0
|
|
O2
|
C:A1Q1131
|
2.7
|
22.1
|
1.0
|
|
CG
|
C:ASP115
|
3.0
|
21.1
|
1.0
|
|
OD1
|
C:ASP115
|
3.1
|
21.4
|
1.0
|
|
C3
|
C:A1Q1131
|
3.3
|
22.4
|
1.0
|
|
CG
|
C:ASN117
|
3.5
|
18.7
|
1.0
|
|
C2
|
C:A1Q1131
|
3.5
|
21.9
|
1.0
|
|
C
|
E:GLY128
|
3.5
|
27.9
|
1.0
|
|
C
|
C:ASN28
|
3.6
|
18.6
|
1.0
|
|
CG
|
C:ASP118
|
3.6
|
15.7
|
1.0
|
|
CA
|
C:CA1130
|
3.6
|
17.6
|
1.0
|
|
C4
|
C:A1Q1131
|
3.7
|
22.1
|
1.0
|
|
O
|
E:GLY128
|
4.0
|
28.6
|
1.0
|
|
ND2
|
C:ASN117
|
4.0
|
18.9
|
1.0
|
|
CA
|
C:ASP118
|
4.1
|
15.5
|
1.0
|
|
CB
|
C:ASN28
|
4.1
|
17.3
|
1.0
|
|
N
|
C:ASP118
|
4.2
|
16.3
|
1.0
|
|
O4
|
C:A1Q1131
|
4.3
|
22.8
|
1.0
|
|
C
|
C:ASN117
|
4.3
|
17.6
|
1.0
|
|
CB
|
C:ASP118
|
4.4
|
15.4
|
1.0
|
|
CB
|
C:ASP115
|
4.5
|
20.5
|
1.0
|
|
CA
|
C:ASN28
|
4.5
|
17.5
|
1.0
|
|
N
|
C:ALA29
|
4.5
|
19.1
|
1.0
|
|
OD2
|
C:ASP118
|
4.5
|
15.2
|
1.0
|
|
OD2
|
C:ASP113
|
4.5
|
21.6
|
1.0
|
|
CA
|
C:ALA29
|
4.6
|
19.9
|
1.0
|
|
O
|
C:ASN117
|
4.6
|
16.9
|
1.0
|
|
OD1
|
C:ASP113
|
4.7
|
22.4
|
1.0
|
|
CB
|
C:ASN117
|
4.7
|
18.8
|
1.0
|
|
CA
|
E:GLY128
|
4.7
|
27.2
|
1.0
|
|
N
|
C:ASN117
|
4.8
|
20.2
|
1.0
|
|
C1
|
C:A1Q1131
|
4.8
|
21.6
|
1.0
|
|
CA
|
C:ASN117
|
4.9
|
18.8
|
1.0
|
|
C5
|
C:A1Q1131
|
5.0
|
21.7
|
1.0
|
|
O5
|
C:A1Q1131
|
5.0
|
21.2
|
1.0
|
|
Calcium binding site 6 out
of 10 in 4aoc
Go back to
Calcium Binding Sites List in 4aoc
Calcium binding site 6 out
of 10 in the Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside
 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 BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1130
b:17.6
occ:1.00
|
OD1
|
C:ASP113
|
2.2
|
22.4
|
1.0
|
|
OD1
|
C:ASP115
|
2.4
|
21.4
|
1.0
|
|
OE1
|
C:GLU109
|
2.4
|
21.0
|
1.0
|
|
OD2
|
C:ASP118
|
2.5
|
15.2
|
1.0
|
|
OD1
|
C:ASP118
|
2.5
|
15.7
|
1.0
|
|
O4
|
C:A1Q1131
|
2.5
|
22.8
|
1.0
|
|
OE2
|
C:GLU109
|
2.5
|
21.8
|
1.0
|
|
O3
|
C:A1Q1131
|
2.6
|
23.2
|
1.0
|
|
CG
|
C:ASP118
|
2.8
|
15.7
|
1.0
|
|
CD
|
C:GLU109
|
2.8
|
21.0
|
1.0
|
|
CG
|
C:ASP113
|
3.2
|
22.5
|
1.0
|
|
C4
|
C:A1Q1131
|
3.3
|
22.1
|
1.0
|
|
CG
|
C:ASP115
|
3.4
|
21.1
|
1.0
|
|
C3
|
C:A1Q1131
|
3.4
|
22.4
|
1.0
|
|
CA
|
C:CA1129
|
3.6
|
24.1
|
1.0
|
|
OD2
|
C:ASP113
|
3.6
|
21.6
|
1.0
|
|
OD2
|
C:ASP115
|
3.8
|
20.5
|
1.0
|
|
OD1
|
C:ASP110
|
3.9
|
18.2
|
1.0
|
|
N
|
C:ASP113
|
4.1
|
22.8
|
1.0
|
|
N
|
C:ASP115
|
4.3
|
20.5
|
1.0
|
|
CG
|
C:GLU109
|
4.3
|
19.9
|
1.0
|
|
CB
|
C:ASP118
|
4.3
|
15.4
|
1.0
|
|
N
|
C:ASP110
|
4.5
|
18.3
|
1.0
|
|
C
|
C:ASP113
|
4.5
|
23.0
|
1.0
|
|
CB
|
C:ASP113
|
4.5
|
22.6
|
1.0
|
|
N
|
C:TYR116
|
4.6
|
20.9
|
1.0
|
|
O
|
C:ASP113
|
4.6
|
24.1
|
1.0
|
|
CA
|
C:ASP113
|
4.6
|
22.7
|
1.0
|
|
CG
|
C:ASP110
|
4.6
|
18.4
|
1.0
|
|
C5
|
C:A1Q1131
|
4.7
|
21.7
|
1.0
|
|
CB
|
C:ASP115
|
4.7
|
20.5
|
1.0
|
|
CA
|
C:GLU109
|
4.7
|
18.3
|
1.0
|
|
N
|
C:SER114
|
4.8
|
22.8
|
1.0
|
|
C2
|
C:A1Q1131
|
4.8
|
21.9
|
1.0
|
|
OD1
|
C:ASN117
|
4.9
|
18.9
|
1.0
|
|
CA
|
C:ASP115
|
4.9
|
20.4
|
1.0
|
|
N
|
C:HIS112
|
4.9
|
22.9
|
1.0
|
|
CB
|
C:HIS112
|
4.9
|
23.3
|
0.5
|
|
CB
|
C:GLU109
|
5.0
|
18.9
|
1.0
|
|
O2
|
C:A1Q1131
|
5.0
|
22.1
|
1.0
|
|
Calcium binding site 7 out
of 10 in 4aoc
Go back to
Calcium Binding Sites List in 4aoc
Calcium binding site 7 out
of 10 in the Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca1129
b:18.6
occ:1.00
|
OD1
|
D:ASN117
|
2.2
|
17.2
|
1.0
|
|
OD2
|
D:ASP115
|
2.2
|
13.7
|
1.0
|
|
OD1
|
D:ASP118
|
2.3
|
14.9
|
1.0
|
|
O
|
D:ASN28
|
2.4
|
17.5
|
1.0
|
|
O2
|
D:A1Q1131
|
2.5
|
19.8
|
1.0
|
|
O3
|
D:A1Q1131
|
2.5
|
17.3
|
1.0
|
|
CG
|
D:ASP115
|
3.0
|
14.4
|
1.0
|
|
OD1
|
D:ASP115
|
3.1
|
14.1
|
1.0
|
|
CG
|
D:ASN117
|
3.3
|
17.4
|
1.0
|
|
C3
|
D:A1Q1131
|
3.4
|
18.6
|
1.0
|
|
C2
|
D:A1Q1131
|
3.5
|
19.5
|
1.0
|
|
C
|
D:ASN28
|
3.6
|
17.4
|
1.0
|
|
CG
|
D:ASP118
|
3.6
|
15.3
|
1.0
|
|
ND2
|
D:ASN117
|
3.7
|
17.8
|
1.0
|
|
CA
|
D:CA1130
|
3.8
|
14.6
|
1.0
|
|
C4
|
D:A1Q1131
|
3.9
|
19.4
|
1.0
|
|
CB
|
D:ASN28
|
4.1
|
17.6
|
1.0
|
|
CA
|
D:ASP118
|
4.3
|
16.1
|
1.0
|
|
OD2
|
D:ASP118
|
4.4
|
15.3
|
1.0
|
|
CB
|
D:ASP115
|
4.4
|
14.7
|
1.0
|
|
N
|
D:ASP118
|
4.4
|
16.4
|
1.0
|
|
N
|
D:ALA29
|
4.4
|
17.6
|
1.0
|
|
C
|
D:ASN117
|
4.4
|
17.1
|
1.0
|
|
CB
|
D:ASP118
|
4.5
|
15.7
|
1.0
|
|
CA
|
D:ASN28
|
4.5
|
17.8
|
1.0
|
|
CA
|
D:ALA29
|
4.5
|
18.0
|
1.0
|
|
O4
|
D:A1Q1131
|
4.6
|
19.1
|
1.0
|
|
OD2
|
D:ASP113
|
4.6
|
18.6
|
1.0
|
|
CB
|
D:ASN117
|
4.6
|
17.1
|
1.0
|
|
O
|
D:ASN117
|
4.7
|
17.0
|
1.0
|
|
N
|
D:ASN117
|
4.8
|
17.7
|
1.0
|
|
OD1
|
D:ASP113
|
4.8
|
17.5
|
1.0
|
|
C1
|
D:A1Q1131
|
4.8
|
19.9
|
1.0
|
|
CA
|
D:ASN117
|
4.8
|
17.2
|
1.0
|
|
CB
|
D:ALA29
|
4.9
|
18.1
|
1.0
|
|
Calcium binding site 8 out
of 10 in 4aoc
Go back to
Calcium Binding Sites List in 4aoc
Calcium binding site 8 out
of 10 in the Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca1130
b:14.6
occ:1.00
|
OD1
|
D:ASP113
|
2.2
|
17.5
|
1.0
|
|
OD2
|
D:ASP118
|
2.2
|
15.3
|
1.0
|
|
OE1
|
D:GLU109
|
2.4
|
18.4
|
1.0
|
|
OD1
|
D:ASP115
|
2.5
|
14.1
|
1.0
|
|
OE2
|
D:GLU109
|
2.5
|
19.9
|
1.0
|
|
O3
|
D:A1Q1131
|
2.6
|
17.3
|
1.0
|
|
O4
|
D:A1Q1131
|
2.6
|
19.1
|
1.0
|
|
OD1
|
D:ASP118
|
2.7
|
14.9
|
1.0
|
|
CD
|
D:GLU109
|
2.8
|
19.2
|
1.0
|
|
CG
|
D:ASP118
|
2.8
|
15.3
|
1.0
|
|
CG
|
D:ASP113
|
3.2
|
17.8
|
1.0
|
|
C4
|
D:A1Q1131
|
3.4
|
19.4
|
1.0
|
|
C3
|
D:A1Q1131
|
3.5
|
18.6
|
1.0
|
|
CG
|
D:ASP115
|
3.5
|
14.4
|
1.0
|
|
OD2
|
D:ASP113
|
3.7
|
18.6
|
1.0
|
|
CA
|
D:CA1129
|
3.8
|
18.6
|
1.0
|
|
OD1
|
D:ASP110
|
3.9
|
21.4
|
1.0
|
|
OD2
|
D:ASP115
|
3.9
|
13.7
|
1.0
|
|
N
|
D:ASP115
|
4.2
|
15.4
|
1.0
|
|
CG
|
D:GLU109
|
4.3
|
18.9
|
1.0
|
|
N
|
D:ASP113
|
4.3
|
19.3
|
1.0
|
|
N
|
D:ASP110
|
4.3
|
19.0
|
1.0
|
|
CB
|
D:ASP118
|
4.3
|
15.7
|
1.0
|
|
N
|
D:TYR116
|
4.4
|
17.1
|
1.0
|
|
C
|
D:ASP113
|
4.5
|
17.0
|
1.0
|
|
CB
|
D:ASP113
|
4.5
|
18.2
|
1.0
|
|
CG
|
D:ASP110
|
4.5
|
20.3
|
1.0
|
|
CA
|
D:GLU109
|
4.6
|
18.9
|
1.0
|
|
O
|
D:ASP113
|
4.6
|
16.6
|
1.0
|
|
CA
|
D:ASP113
|
4.6
|
17.9
|
1.0
|
|
CB
|
D:ASP115
|
4.7
|
14.7
|
1.0
|
|
OD1
|
D:ASN117
|
4.8
|
17.2
|
1.0
|
|
CA
|
D:ASP115
|
4.8
|
15.2
|
1.0
|
|
N
|
D:SER114
|
4.8
|
16.4
|
1.0
|
|
C2
|
D:A1Q1131
|
4.8
|
19.5
|
1.0
|
|
C5
|
D:A1Q1131
|
4.8
|
20.3
|
1.0
|
|
CB
|
D:GLU109
|
4.9
|
19.3
|
1.0
|
|
OD2
|
D:ASP110
|
4.9
|
19.9
|
1.0
|
|
C
|
D:GLU109
|
4.9
|
18.7
|
1.0
|
|
N
|
D:GLY111
|
4.9
|
21.3
|
1.0
|
|
O2
|
D:A1Q1131
|
4.9
|
19.8
|
1.0
|
|
Calcium binding site 9 out
of 10 in 4aoc
Go back to
Calcium Binding Sites List in 4aoc
Calcium binding site 9 out
of 10 in the Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1129
b:17.9
occ:1.00
|
O
|
E:ASN28
|
2.2
|
16.6
|
1.0
|
|
OD2
|
E:ASP115
|
2.3
|
17.6
|
1.0
|
|
OD1
|
E:ASN117
|
2.3
|
16.5
|
1.0
|
|
OD1
|
E:ASP118
|
2.4
|
17.4
|
1.0
|
|
O3
|
E:A1Q1131
|
2.4
|
18.5
|
1.0
|
|
O
|
C:GLY128
|
2.5
|
22.2
|
1.0
|
|
O2
|
E:A1Q1131
|
2.7
|
19.1
|
1.0
|
|
CG
|
E:ASP115
|
3.1
|
17.6
|
1.0
|
|
OD1
|
E:ASP115
|
3.2
|
17.9
|
1.0
|
|
C3
|
E:A1Q1131
|
3.3
|
19.3
|
1.0
|
|
CG
|
E:ASN117
|
3.4
|
15.9
|
1.0
|
|
C
|
E:ASN28
|
3.4
|
17.7
|
1.0
|
|
C2
|
E:A1Q1131
|
3.5
|
19.4
|
1.0
|
|
C
|
C:GLY128
|
3.5
|
22.9
|
1.0
|
|
CG
|
E:ASP118
|
3.6
|
16.7
|
1.0
|
|
CA
|
E:CA1130
|
3.7
|
20.2
|
1.0
|
|
OXT
|
C:GLY128
|
3.7
|
24.9
|
1.0
|
|
C4
|
E:A1Q1131
|
3.8
|
19.3
|
1.0
|
|
ND2
|
E:ASN117
|
3.9
|
15.1
|
1.0
|
|
CB
|
E:ASN28
|
4.0
|
17.9
|
1.0
|
|
CA
|
E:ASP118
|
4.2
|
15.6
|
1.0
|
|
N
|
E:ASP118
|
4.2
|
15.7
|
1.0
|
|
C
|
E:ASN117
|
4.3
|
15.6
|
1.0
|
|
N
|
E:ALA29
|
4.3
|
18.8
|
1.0
|
|
CA
|
E:ASN28
|
4.3
|
17.8
|
1.0
|
|
CA
|
E:ALA29
|
4.4
|
20.4
|
1.0
|
|
O4
|
E:A1Q1131
|
4.4
|
19.1
|
1.0
|
|
CB
|
E:ASP115
|
4.4
|
17.3
|
1.0
|
|
OD2
|
E:ASP118
|
4.4
|
16.5
|
1.0
|
|
CB
|
E:ASP118
|
4.5
|
16.1
|
1.0
|
|
O
|
E:ASN117
|
4.6
|
15.3
|
1.0
|
|
CB
|
E:ALA29
|
4.6
|
20.7
|
1.0
|
|
CB
|
E:ASN117
|
4.7
|
15.6
|
1.0
|
|
OD2
|
E:ASP113
|
4.8
|
24.2
|
1.0
|
|
OD1
|
E:ASP113
|
4.8
|
21.9
|
1.0
|
|
N
|
E:ASN117
|
4.8
|
15.5
|
1.0
|
|
CA
|
E:ASN117
|
4.8
|
15.8
|
1.0
|
|
C1
|
E:A1Q1131
|
4.8
|
19.6
|
1.0
|
|
CA
|
C:GLY128
|
4.9
|
21.9
|
1.0
|
|
Calcium binding site 10 out
of 10 in 4aoc
Go back to
Calcium Binding Sites List in 4aoc
Calcium binding site 10 out
of 10 in the Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Crystal Structure of BC2L-A Lectin From Burkolderia Cenocepacia in Complex with Methyl-Heptoside within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1130
b:20.2
occ:1.00
|
OD1
|
E:ASP113
|
2.2
|
21.9
|
1.0
|
|
OD2
|
E:ASP118
|
2.4
|
16.5
|
1.0
|
|
OD1
|
E:ASP115
|
2.4
|
17.9
|
1.0
|
|
O4
|
E:A1Q1131
|
2.4
|
19.1
|
1.0
|
|
O3
|
E:A1Q1131
|
2.4
|
18.5
|
1.0
|
|
OE1
|
E:GLU109
|
2.5
|
16.4
|
1.0
|
|
OE2
|
E:GLU109
|
2.5
|
17.1
|
1.0
|
|
OD1
|
E:ASP118
|
2.6
|
17.4
|
1.0
|
|
CD
|
E:GLU109
|
2.8
|
17.0
|
1.0
|
|
CG
|
E:ASP118
|
2.8
|
16.7
|
1.0
|
|
C4
|
E:A1Q1131
|
3.2
|
19.3
|
1.0
|
|
CG
|
E:ASP113
|
3.2
|
23.2
|
1.0
|
|
C3
|
E:A1Q1131
|
3.3
|
19.3
|
1.0
|
|
CG
|
E:ASP115
|
3.4
|
17.6
|
1.0
|
|
OD2
|
E:ASP113
|
3.6
|
24.2
|
1.0
|
|
CA
|
E:CA1129
|
3.7
|
17.9
|
1.0
|
|
OD2
|
E:ASP115
|
3.8
|
17.6
|
1.0
|
|
OD1
|
E:ASP110
|
3.8
|
18.5
|
1.0
|
|
N
|
E:ASP113
|
4.1
|
22.9
|
1.0
|
|
CG
|
E:GLU109
|
4.3
|
16.9
|
1.0
|
|
O
|
E:ASP113
|
4.3
|
23.1
|
1.0
|
|
CB
|
E:ASP118
|
4.4
|
16.1
|
1.0
|
|
N
|
E:ASP115
|
4.4
|
18.1
|
1.0
|
|
C
|
E:ASP113
|
4.4
|
21.7
|
1.0
|
|
CB
|
E:ASP113
|
4.4
|
23.2
|
1.0
|
|
CA
|
E:ASP113
|
4.5
|
22.2
|
1.0
|
|
CG
|
E:ASP110
|
4.6
|
18.4
|
1.0
|
|
C5
|
E:A1Q1131
|
4.6
|
19.5
|
1.0
|
|
N
|
E:TYR116
|
4.6
|
17.2
|
1.0
|
|
C2
|
E:A1Q1131
|
4.7
|
19.4
|
1.0
|
|
CB
|
E:ASP115
|
4.7
|
17.3
|
1.0
|
|
N
|
E:ASP110
|
4.7
|
18.7
|
1.0
|
|
OD2
|
E:ASP110
|
4.8
|
18.8
|
1.0
|
|
OD1
|
E:ASN117
|
4.9
|
16.5
|
1.0
|
|
N
|
E:HIS112
|
4.9
|
23.6
|
1.0
|
|
CA
|
E:GLU109
|
4.9
|
17.4
|
1.0
|
|
N
|
E:SER114
|
4.9
|
20.4
|
1.0
|
|
O2
|
E:A1Q1131
|
4.9
|
19.1
|
1.0
|
|
CA
|
E:ASP115
|
4.9
|
17.6
|
1.0
|
|
N
|
E:GLY111
|
5.0
|
19.6
|
1.0
|
|
C
|
E:HIS112
|
5.0
|
24.4
|
1.0
|
|
Reference:
R.Marchetti,
L.Malinovska,
E.Lameignere,
L.Adamova,
C.De Castro,
G.Cioci,
C.Stanetty,
P.Kosma,
A.Molinaro,
M.Wimmerova,
A.Imberty,
A.Silipo.
Burkholderia Cenocepacia Lectin A Binding to Heptoses From the Bacterial Lipopolysaccharide. Glycobiology V. 22 1387 2012.
ISSN: ISSN 0959-6658
PubMed: 22763039
DOI: 10.1093/GLYCOB/CWS105
Page generated: Sat Dec 12 04:39:12 2020
|
