Calcium in PDB 2vxj: Crystal Structure of Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution
Protein crystallography data
The structure of Crystal Structure of Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution, PDB code: 2vxj
was solved by
B.Blanchard,
A.Nurisso,
E.Hollville,
C.Tetaud,
J.Wiels,
M.Pokorna,
M.Wimmerova,
A.Varrot,
A.Imberty,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
55.00 /
1.9
|
|
Space group
|
P 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
79.184,
86.521,
119.078,
93.93,
98.16,
90.08
|
|
R / Rfree (%)
|
18.5 /
24.5
|
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
24;
Binding sites:
The binding sites of Calcium atom in the Crystal Structure of Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution
(pdb code 2vxj). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 24 binding sites of Calcium where determined in the
Crystal Structure of Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution, PDB code: 2vxj:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 24 in 2vxj
Go back to
Calcium Binding Sites List in 2vxj
Calcium binding site 1 out
of 24 in the Crystal Structure of Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution
 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 Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca200
b:10.8
occ:1.00
|
O
|
A:TYR36
|
2.3
|
11.0
|
1.0
|
|
O
|
A:THR104
|
2.4
|
11.8
|
1.0
|
|
O3
|
A:GLA201
|
2.5
|
9.9
|
1.0
|
|
OD2
|
A:ASP100
|
2.5
|
8.7
|
1.0
|
|
OD1
|
A:ASN107
|
2.5
|
13.6
|
1.0
|
|
O4
|
A:GLA201
|
2.5
|
13.8
|
1.0
|
|
OD1
|
A:ASN108
|
2.5
|
13.3
|
1.0
|
|
C
|
A:TYR36
|
3.3
|
13.3
|
1.0
|
|
C3
|
A:GLA201
|
3.3
|
9.2
|
1.0
|
|
C4
|
A:GLA201
|
3.4
|
11.1
|
1.0
|
|
C
|
A:THR104
|
3.5
|
12.6
|
1.0
|
|
CG
|
A:ASP100
|
3.5
|
8.8
|
1.0
|
|
CG
|
A:ASN107
|
3.5
|
11.2
|
1.0
|
|
CG
|
A:ASN108
|
3.6
|
11.1
|
1.0
|
|
OG1
|
A:THR104
|
3.6
|
11.0
|
1.0
|
|
OD1
|
A:ASP100
|
3.8
|
8.1
|
1.0
|
|
CB
|
A:THR104
|
3.9
|
12.7
|
1.0
|
|
C2
|
A:GLA201
|
3.9
|
9.4
|
1.0
|
|
CA
|
A:TYR36
|
3.9
|
12.4
|
1.0
|
|
ND2
|
A:ASN107
|
4.0
|
11.0
|
1.0
|
|
ND2
|
A:ASN108
|
4.0
|
12.5
|
1.0
|
|
CB
|
A:TYR36
|
4.2
|
12.4
|
1.0
|
|
CA
|
A:THR104
|
4.3
|
12.6
|
1.0
|
|
N
|
A:GLY37
|
4.4
|
13.2
|
1.0
|
|
N
|
A:TYR105
|
4.4
|
12.1
|
1.0
|
|
CA
|
A:TYR105
|
4.5
|
11.9
|
1.0
|
|
O
|
A:HOH2136
|
4.6
|
8.0
|
1.0
|
|
N
|
A:ASN108
|
4.6
|
12.4
|
1.0
|
|
O2
|
A:GLA201
|
4.7
|
7.8
|
1.0
|
|
C
|
A:ASN107
|
4.7
|
12.2
|
1.0
|
|
CA
|
A:GLY37
|
4.7
|
14.2
|
1.0
|
|
C5
|
A:GLA201
|
4.8
|
11.1
|
1.0
|
|
CB
|
A:ASP100
|
4.8
|
8.9
|
1.0
|
|
CB
|
A:ASN107
|
4.8
|
11.9
|
1.0
|
|
C
|
A:TYR105
|
4.8
|
13.0
|
1.0
|
|
CB
|
A:ASN108
|
4.9
|
12.3
|
1.0
|
|
N
|
A:ASN107
|
4.9
|
12.6
|
1.0
|
|
CA
|
A:ASN108
|
5.0
|
11.8
|
1.0
|
|
Calcium binding site 2 out
of 24 in 2vxj
Go back to
Calcium Binding Sites List in 2vxj
Calcium binding site 2 out
of 24 in the Crystal Structure of Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution
 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 Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca200
b:13.2
occ:1.00
|
O
|
B:TYR36
|
2.4
|
14.0
|
1.0
|
|
OD1
|
B:ASN107
|
2.5
|
17.4
|
1.0
|
|
OD2
|
B:ASP100
|
2.5
|
9.7
|
1.0
|
|
O
|
B:THR104
|
2.5
|
17.4
|
1.0
|
|
O3
|
B:GLA201
|
2.5
|
19.5
|
1.0
|
|
OD1
|
B:ASN108
|
2.5
|
14.7
|
1.0
|
|
O4
|
B:GLA201
|
2.5
|
18.7
|
1.0
|
|
C3
|
B:GLA201
|
3.4
|
19.1
|
1.0
|
|
C
|
B:TYR36
|
3.4
|
14.7
|
1.0
|
|
C4
|
B:GLA201
|
3.4
|
18.4
|
1.0
|
|
CG
|
B:ASN107
|
3.5
|
17.9
|
1.0
|
|
CG
|
B:ASP100
|
3.5
|
13.0
|
1.0
|
|
CG
|
B:ASN108
|
3.6
|
14.4
|
1.0
|
|
C
|
B:THR104
|
3.6
|
16.0
|
1.0
|
|
OG1
|
B:THR104
|
3.6
|
17.4
|
1.0
|
|
ND2
|
B:ASN107
|
3.8
|
17.8
|
1.0
|
|
C2
|
B:GLA201
|
3.9
|
19.3
|
1.0
|
|
OD1
|
B:ASP100
|
3.9
|
9.6
|
1.0
|
|
ND2
|
B:ASN108
|
3.9
|
8.4
|
1.0
|
|
CB
|
B:THR104
|
4.0
|
17.0
|
1.0
|
|
CA
|
B:TYR36
|
4.0
|
14.3
|
1.0
|
|
CB
|
B:TYR36
|
4.2
|
13.6
|
1.0
|
|
CA
|
B:THR104
|
4.4
|
15.9
|
1.0
|
|
N
|
B:TYR105
|
4.4
|
13.9
|
1.0
|
|
CA
|
B:TYR105
|
4.4
|
13.9
|
1.0
|
|
N
|
B:GLY37
|
4.5
|
15.4
|
1.0
|
|
O
|
B:HOH2117
|
4.5
|
19.2
|
1.0
|
|
O2
|
B:GLA201
|
4.6
|
18.2
|
1.0
|
|
N
|
B:ASN108
|
4.6
|
14.9
|
1.0
|
|
C5
|
B:GLA201
|
4.8
|
18.2
|
1.0
|
|
CA
|
B:GLY37
|
4.8
|
16.0
|
1.0
|
|
CB
|
B:ASN107
|
4.8
|
16.1
|
1.0
|
|
C
|
B:ASN107
|
4.8
|
15.7
|
1.0
|
|
C
|
B:TYR105
|
4.8
|
13.7
|
1.0
|
|
CB
|
B:ASN108
|
4.8
|
14.9
|
1.0
|
|
CB
|
B:ASP100
|
4.9
|
13.0
|
1.0
|
|
N
|
B:ASN107
|
5.0
|
14.8
|
1.0
|
|
Calcium binding site 3 out
of 24 in 2vxj
Go back to
Calcium Binding Sites List in 2vxj
Calcium binding site 3 out
of 24 in the Crystal Structure of Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution
 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 Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca200
b:16.6
occ:1.00
|
O
|
C:THR104
|
2.2
|
17.1
|
1.0
|
|
O4
|
C:GLA201
|
2.4
|
17.9
|
1.0
|
|
OD1
|
C:ASN107
|
2.4
|
20.1
|
1.0
|
|
OD1
|
C:ASN108
|
2.4
|
20.0
|
1.0
|
|
O
|
C:TYR36
|
2.4
|
16.2
|
1.0
|
|
O3
|
C:GLA201
|
2.4
|
17.1
|
1.0
|
|
OD2
|
C:ASP100
|
2.5
|
11.5
|
1.0
|
|
C3
|
C:GLA201
|
3.4
|
17.4
|
1.0
|
|
C4
|
C:GLA201
|
3.4
|
18.6
|
1.0
|
|
C
|
C:THR104
|
3.4
|
18.2
|
1.0
|
|
C
|
C:TYR36
|
3.4
|
16.9
|
1.0
|
|
CG
|
C:ASN107
|
3.5
|
18.4
|
1.0
|
|
CG
|
C:ASN108
|
3.5
|
17.8
|
1.0
|
|
CG
|
C:ASP100
|
3.5
|
11.1
|
1.0
|
|
OG1
|
C:THR104
|
3.7
|
19.5
|
1.0
|
|
OD1
|
C:ASP100
|
3.9
|
9.5
|
1.0
|
|
C2
|
C:GLA201
|
3.9
|
19.0
|
1.0
|
|
ND2
|
C:ASN107
|
3.9
|
16.5
|
1.0
|
|
ND2
|
C:ASN108
|
4.0
|
17.8
|
1.0
|
|
CB
|
C:THR104
|
4.0
|
18.6
|
1.0
|
|
CA
|
C:TYR36
|
4.0
|
16.2
|
1.0
|
|
CB
|
C:TYR36
|
4.2
|
15.9
|
1.0
|
|
N
|
C:TYR105
|
4.3
|
17.8
|
1.0
|
|
CA
|
C:TYR105
|
4.3
|
17.4
|
1.0
|
|
CA
|
C:THR104
|
4.3
|
18.0
|
1.0
|
|
O
|
C:HOH2109
|
4.5
|
16.4
|
1.0
|
|
N
|
C:GLY37
|
4.5
|
18.2
|
1.0
|
|
O2
|
C:GLA201
|
4.5
|
19.4
|
1.0
|
|
N
|
C:ASN108
|
4.7
|
18.7
|
1.0
|
|
C
|
C:TYR105
|
4.7
|
16.9
|
1.0
|
|
C
|
C:ASN107
|
4.7
|
17.9
|
1.0
|
|
C5
|
C:GLA201
|
4.8
|
19.3
|
1.0
|
|
N
|
C:ASN107
|
4.8
|
17.2
|
1.0
|
|
CA
|
C:GLY37
|
4.8
|
18.7
|
1.0
|
|
CB
|
C:ASN107
|
4.8
|
17.1
|
1.0
|
|
CB
|
C:ASN108
|
4.8
|
18.4
|
1.0
|
|
CB
|
C:ASP100
|
4.8
|
12.4
|
1.0
|
|
O
|
C:HOH2098
|
4.8
|
14.7
|
1.0
|
|
CA
|
C:ASN107
|
5.0
|
17.7
|
1.0
|
|
Calcium binding site 4 out
of 24 in 2vxj
Go back to
Calcium Binding Sites List in 2vxj
Calcium binding site 4 out
of 24 in the Crystal Structure of Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution
 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 Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca200
b:13.3
occ:1.00
|
O
|
D:THR104
|
2.3
|
12.2
|
1.0
|
|
O
|
D:TYR36
|
2.4
|
15.2
|
1.0
|
|
OD1
|
D:ASN107
|
2.4
|
15.6
|
1.0
|
|
OD2
|
D:ASP100
|
2.5
|
11.1
|
1.0
|
|
O4
|
D:GLA201
|
2.5
|
14.4
|
1.0
|
|
OD1
|
D:ASN108
|
2.5
|
13.4
|
1.0
|
|
O3
|
D:GLA201
|
2.6
|
15.1
|
1.0
|
|
C3
|
D:GLA201
|
3.4
|
16.4
|
1.0
|
|
C
|
D:TYR36
|
3.4
|
14.6
|
1.0
|
|
C4
|
D:GLA201
|
3.4
|
16.2
|
1.0
|
|
CG
|
D:ASN107
|
3.4
|
14.6
|
1.0
|
|
C
|
D:THR104
|
3.4
|
11.8
|
1.0
|
|
CG
|
D:ASP100
|
3.5
|
10.2
|
1.0
|
|
CG
|
D:ASN108
|
3.6
|
13.0
|
1.0
|
|
OG1
|
D:THR104
|
3.7
|
11.1
|
1.0
|
|
ND2
|
D:ASN107
|
3.8
|
17.4
|
1.0
|
|
OD1
|
D:ASP100
|
3.9
|
9.4
|
1.0
|
|
C2
|
D:GLA201
|
3.9
|
17.1
|
1.0
|
|
CA
|
D:TYR36
|
4.0
|
14.1
|
1.0
|
|
CB
|
D:THR104
|
4.0
|
11.6
|
1.0
|
|
CB
|
D:TYR36
|
4.1
|
14.3
|
1.0
|
|
ND2
|
D:ASN108
|
4.1
|
13.0
|
1.0
|
|
N
|
D:TYR105
|
4.3
|
12.0
|
1.0
|
|
CA
|
D:THR104
|
4.3
|
11.6
|
1.0
|
|
CA
|
D:TYR105
|
4.4
|
12.2
|
1.0
|
|
N
|
D:GLY37
|
4.4
|
14.9
|
1.0
|
|
O
|
D:HOH2120
|
4.5
|
20.3
|
1.0
|
|
N
|
D:ASN108
|
4.6
|
13.1
|
1.0
|
|
O2
|
D:GLA201
|
4.7
|
18.0
|
1.0
|
|
C
|
D:ASN107
|
4.7
|
13.7
|
1.0
|
|
CA
|
D:GLY37
|
4.7
|
14.8
|
1.0
|
|
C5
|
D:GLA201
|
4.8
|
15.4
|
1.0
|
|
CB
|
D:ASP100
|
4.8
|
9.5
|
1.0
|
|
CB
|
D:ASN107
|
4.8
|
14.3
|
1.0
|
|
C
|
D:TYR105
|
4.8
|
12.1
|
1.0
|
|
CB
|
D:ASN108
|
4.9
|
13.3
|
1.0
|
|
CD2
|
D:TYR36
|
5.0
|
14.9
|
1.0
|
|
N
|
D:ASN107
|
5.0
|
13.3
|
1.0
|
|
CA
|
D:ASN108
|
5.0
|
13.6
|
1.0
|
|
Calcium binding site 5 out
of 24 in 2vxj
Go back to
Calcium Binding Sites List in 2vxj
Calcium binding site 5 out
of 24 in the Crystal Structure of Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution
 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 Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca200
b:12.9
occ:1.00
|
O
|
E:THR104
|
2.3
|
10.6
|
1.0
|
|
O
|
E:TYR36
|
2.3
|
15.0
|
1.0
|
|
OD1
|
E:ASN107
|
2.3
|
15.8
|
1.0
|
|
O4
|
E:GLA201
|
2.4
|
19.0
|
1.0
|
|
O3
|
E:GLA201
|
2.5
|
12.8
|
1.0
|
|
OD1
|
E:ASN108
|
2.5
|
14.4
|
1.0
|
|
OD2
|
E:ASP100
|
2.6
|
10.1
|
1.0
|
|
C3
|
E:GLA201
|
3.3
|
14.1
|
1.0
|
|
C4
|
E:GLA201
|
3.4
|
15.4
|
1.0
|
|
CG
|
E:ASN107
|
3.4
|
14.0
|
1.0
|
|
C
|
E:TYR36
|
3.4
|
13.7
|
1.0
|
|
C
|
E:THR104
|
3.5
|
12.2
|
1.0
|
|
OG1
|
E:THR104
|
3.5
|
10.6
|
1.0
|
|
CG
|
E:ASN108
|
3.6
|
12.9
|
1.0
|
|
CG
|
E:ASP100
|
3.7
|
10.8
|
1.0
|
|
ND2
|
E:ASN107
|
3.7
|
15.2
|
1.0
|
|
C2
|
E:GLA201
|
3.9
|
14.2
|
1.0
|
|
CB
|
E:THR104
|
4.0
|
12.9
|
1.0
|
|
CA
|
E:TYR36
|
4.0
|
13.6
|
1.0
|
|
ND2
|
E:ASN108
|
4.1
|
5.9
|
1.0
|
|
OD1
|
E:ASP100
|
4.1
|
13.0
|
1.0
|
|
CB
|
E:TYR36
|
4.3
|
13.7
|
1.0
|
|
CA
|
E:THR104
|
4.3
|
12.3
|
1.0
|
|
N
|
E:TYR105
|
4.4
|
11.6
|
1.0
|
|
CA
|
E:TYR105
|
4.4
|
11.2
|
1.0
|
|
N
|
E:GLY37
|
4.4
|
13.1
|
1.0
|
|
O2
|
E:GLA201
|
4.4
|
13.4
|
1.0
|
|
O
|
E:HOH2124
|
4.5
|
2.3
|
0.5
|
|
N
|
E:ASN108
|
4.6
|
13.1
|
1.0
|
|
C
|
E:ASN107
|
4.7
|
13.4
|
1.0
|
|
CA
|
E:GLY37
|
4.7
|
13.8
|
1.0
|
|
O
|
E:HOH2108
|
4.7
|
9.0
|
0.5
|
|
CB
|
E:ASN107
|
4.7
|
12.7
|
1.0
|
|
C5
|
E:GLA201
|
4.7
|
15.3
|
1.0
|
|
C
|
E:TYR105
|
4.7
|
12.0
|
1.0
|
|
CB
|
E:ASN108
|
4.8
|
13.6
|
1.0
|
|
N
|
E:ASN107
|
4.9
|
12.4
|
1.0
|
|
O
|
E:TYR105
|
4.9
|
11.2
|
1.0
|
|
CA
|
E:ASN108
|
4.9
|
13.2
|
1.0
|
|
CB
|
E:ASP100
|
5.0
|
11.5
|
1.0
|
|
Calcium binding site 6 out
of 24 in 2vxj
Go back to
Calcium Binding Sites List in 2vxj
Calcium binding site 6 out
of 24 in the Crystal Structure of Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution
 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 Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Ca200
b:10.7
occ:1.00
|
O
|
F:TYR36
|
2.3
|
12.3
|
1.0
|
|
OD1
|
F:ASN108
|
2.4
|
12.6
|
1.0
|
|
O
|
F:THR104
|
2.4
|
15.0
|
1.0
|
|
O4
|
F:GLA201
|
2.4
|
11.4
|
1.0
|
|
OD1
|
F:ASN107
|
2.4
|
21.5
|
1.0
|
|
OD2
|
F:ASP100
|
2.5
|
7.6
|
1.0
|
|
O3
|
F:GLA201
|
2.5
|
15.4
|
1.0
|
|
C
|
F:TYR36
|
3.3
|
12.7
|
1.0
|
|
C3
|
F:GLA201
|
3.4
|
15.4
|
1.0
|
|
C4
|
F:GLA201
|
3.4
|
16.2
|
1.0
|
|
CG
|
F:ASN108
|
3.5
|
13.4
|
1.0
|
|
CG
|
F:ASP100
|
3.5
|
6.4
|
1.0
|
|
CG
|
F:ASN107
|
3.5
|
15.4
|
1.0
|
|
C
|
F:THR104
|
3.5
|
13.9
|
1.0
|
|
OG1
|
F:THR104
|
3.6
|
13.5
|
1.0
|
|
OD1
|
F:ASP100
|
3.8
|
7.7
|
1.0
|
|
CA
|
F:TYR36
|
3.9
|
11.8
|
1.0
|
|
C2
|
F:GLA201
|
3.9
|
18.4
|
1.0
|
|
ND2
|
F:ASN108
|
3.9
|
13.4
|
1.0
|
|
ND2
|
F:ASN107
|
3.9
|
11.3
|
1.0
|
|
CB
|
F:THR104
|
4.1
|
13.8
|
1.0
|
|
CB
|
F:TYR36
|
4.1
|
11.9
|
1.0
|
|
N
|
F:TYR105
|
4.4
|
13.5
|
1.0
|
|
CA
|
F:TYR105
|
4.4
|
13.2
|
1.0
|
|
N
|
F:GLY37
|
4.4
|
12.7
|
1.0
|
|
CA
|
F:THR104
|
4.5
|
13.7
|
1.0
|
|
O
|
F:HOH2111
|
4.5
|
16.0
|
1.0
|
|
O2
|
F:GLA201
|
4.5
|
19.7
|
1.0
|
|
N
|
F:ASN108
|
4.6
|
13.1
|
1.0
|
|
CA
|
F:GLY37
|
4.7
|
13.4
|
1.0
|
|
CB
|
F:ASN108
|
4.7
|
13.5
|
1.0
|
|
C
|
F:TYR105
|
4.8
|
13.2
|
1.0
|
|
C
|
F:ASN107
|
4.8
|
13.8
|
1.0
|
|
C5
|
F:GLA201
|
4.8
|
15.6
|
1.0
|
|
CB
|
F:ASN107
|
4.8
|
14.3
|
1.0
|
|
N
|
F:ASN107
|
4.8
|
14.5
|
1.0
|
|
CB
|
F:ASP100
|
4.8
|
9.2
|
1.0
|
|
CA
|
F:ASN108
|
4.9
|
13.3
|
1.0
|
|
Calcium binding site 7 out
of 24 in 2vxj
Go back to
Calcium Binding Sites List in 2vxj
Calcium binding site 7 out
of 24 in the Crystal Structure of Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution
 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 Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Ca200
b:16.6
occ:1.00
|
O4
|
G:GLA201
|
2.1
|
6.0
|
1.0
|
|
OD1
|
G:ASN108
|
2.3
|
20.8
|
1.0
|
|
O3
|
G:GLA201
|
2.3
|
13.2
|
1.0
|
|
O
|
G:TYR36
|
2.4
|
18.0
|
1.0
|
|
O
|
G:THR104
|
2.4
|
20.6
|
1.0
|
|
OD1
|
G:ASN107
|
2.4
|
19.0
|
1.0
|
|
C4
|
G:GLA201
|
3.1
|
14.3
|
1.0
|
|
OD2
|
G:ASP100
|
3.1
|
9.7
|
1.0
|
|
C3
|
G:GLA201
|
3.1
|
13.4
|
1.0
|
|
C
|
G:TYR36
|
3.3
|
17.7
|
1.0
|
|
CG
|
G:ASN108
|
3.4
|
18.6
|
1.0
|
|
CG
|
G:ASN107
|
3.5
|
15.0
|
1.0
|
|
C
|
G:THR104
|
3.6
|
20.0
|
1.0
|
|
OG1
|
G:THR104
|
3.7
|
19.5
|
1.0
|
|
C2
|
G:GLA201
|
3.8
|
18.7
|
1.0
|
|
ND2
|
G:ASN107
|
3.9
|
13.8
|
1.0
|
|
ND2
|
G:ASN108
|
3.9
|
17.3
|
1.0
|
|
CA
|
G:TYR36
|
3.9
|
16.7
|
1.0
|
|
CB
|
G:THR104
|
4.1
|
20.2
|
1.0
|
|
CG
|
G:ASP100
|
4.2
|
14.2
|
1.0
|
|
CB
|
G:TYR36
|
4.2
|
16.8
|
1.0
|
|
N
|
G:GLY37
|
4.2
|
18.2
|
1.0
|
|
N
|
G:ASN108
|
4.3
|
18.3
|
1.0
|
|
CA
|
G:TYR105
|
4.4
|
17.4
|
1.0
|
|
O
|
G:HOH2120
|
4.4
|
20.6
|
1.0
|
|
N
|
G:TYR105
|
4.4
|
17.8
|
1.0
|
|
C5
|
G:GLA201
|
4.5
|
14.2
|
1.0
|
|
O2
|
G:GLA201
|
4.5
|
18.2
|
1.0
|
|
CA
|
G:THR104
|
4.5
|
20.1
|
1.0
|
|
CA
|
G:GLY37
|
4.5
|
19.2
|
1.0
|
|
CB
|
G:ASN108
|
4.6
|
18.2
|
1.0
|
|
C
|
G:ASN107
|
4.7
|
17.6
|
1.0
|
|
CA
|
G:ASN108
|
4.7
|
17.5
|
1.0
|
|
C
|
G:TYR105
|
4.7
|
17.1
|
1.0
|
|
OD1
|
G:ASP100
|
4.7
|
16.9
|
1.0
|
|
N
|
G:ASN107
|
4.8
|
14.7
|
1.0
|
|
CB
|
G:ASN107
|
4.8
|
16.2
|
1.0
|
|
O
|
G:TYR105
|
4.9
|
16.3
|
1.0
|
|
O5
|
G:GLA201
|
4.9
|
17.6
|
1.0
|
|
CA
|
G:ASN107
|
5.0
|
16.4
|
1.0
|
|
Calcium binding site 8 out
of 24 in 2vxj
Go back to
Calcium Binding Sites List in 2vxj
Calcium binding site 8 out
of 24 in the Crystal Structure of Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution
 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 Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Ca200
b:8.9
occ:1.00
|
O
|
H:THR104
|
2.3
|
10.1
|
1.0
|
|
O4
|
H:GLA201
|
2.3
|
10.9
|
1.0
|
|
O
|
H:TYR36
|
2.3
|
10.6
|
1.0
|
|
OD1
|
H:ASN108
|
2.4
|
11.2
|
1.0
|
|
OD2
|
H:ASP100
|
2.5
|
14.5
|
1.0
|
|
OD1
|
H:ASN107
|
2.5
|
11.0
|
1.0
|
|
O3
|
H:GLA201
|
2.5
|
11.9
|
1.0
|
|
C4
|
H:GLA201
|
3.3
|
13.3
|
1.0
|
|
C3
|
H:GLA201
|
3.3
|
11.6
|
1.0
|
|
C
|
H:TYR36
|
3.4
|
11.3
|
1.0
|
|
C
|
H:THR104
|
3.5
|
10.5
|
1.0
|
|
CG
|
H:ASN108
|
3.5
|
9.4
|
1.0
|
|
CG
|
H:ASP100
|
3.5
|
9.4
|
1.0
|
|
CG
|
H:ASN107
|
3.5
|
9.7
|
1.0
|
|
OG1
|
H:THR104
|
3.6
|
11.7
|
1.0
|
|
OD1
|
H:ASP100
|
3.8
|
8.3
|
1.0
|
|
CA
|
H:TYR36
|
3.9
|
10.6
|
1.0
|
|
C2
|
H:GLA201
|
3.9
|
15.2
|
1.0
|
|
ND2
|
H:ASN107
|
3.9
|
6.2
|
1.0
|
|
ND2
|
H:ASN108
|
4.0
|
8.9
|
1.0
|
|
CB
|
H:THR104
|
4.0
|
10.3
|
1.0
|
|
CB
|
H:TYR36
|
4.1
|
10.8
|
1.0
|
|
N
|
H:TYR105
|
4.3
|
9.7
|
1.0
|
|
CA
|
H:TYR105
|
4.3
|
9.9
|
1.0
|
|
CA
|
H:THR104
|
4.4
|
10.6
|
1.0
|
|
N
|
H:GLY37
|
4.4
|
12.4
|
1.0
|
|
N
|
H:ASN108
|
4.5
|
10.7
|
1.0
|
|
O2
|
H:GLA201
|
4.5
|
15.4
|
1.0
|
|
O
|
H:HOH2134
|
4.6
|
13.2
|
1.0
|
|
C5
|
H:GLA201
|
4.7
|
14.7
|
1.0
|
|
CA
|
H:GLY37
|
4.7
|
12.8
|
1.0
|
|
CB
|
H:ASN108
|
4.8
|
10.0
|
1.0
|
|
C
|
H:TYR105
|
4.8
|
10.5
|
1.0
|
|
C
|
H:ASN107
|
4.8
|
10.5
|
1.0
|
|
CB
|
H:ASP100
|
4.9
|
10.2
|
1.0
|
|
CB
|
H:ASN107
|
4.9
|
10.4
|
1.0
|
|
CA
|
H:ASN108
|
4.9
|
10.2
|
1.0
|
|
N
|
H:ASN107
|
4.9
|
10.9
|
1.0
|
|
Calcium binding site 9 out
of 24 in 2vxj
Go back to
Calcium Binding Sites List in 2vxj
Calcium binding site 9 out
of 24 in the Crystal Structure of Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution
 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 Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Ca200
b:10.8
occ:1.00
|
O
|
I:THR104
|
2.3
|
12.2
|
1.0
|
|
O
|
I:TYR36
|
2.3
|
11.6
|
1.0
|
|
OD1
|
I:ASN107
|
2.4
|
11.9
|
1.0
|
|
O4
|
I:GLA201
|
2.4
|
12.1
|
1.0
|
|
OD1
|
I:ASN108
|
2.5
|
10.5
|
1.0
|
|
O3
|
I:GLA201
|
2.6
|
11.0
|
1.0
|
|
OD2
|
I:ASP100
|
2.6
|
10.3
|
1.0
|
|
C
|
I:TYR36
|
3.3
|
11.5
|
1.0
|
|
C
|
I:THR104
|
3.4
|
13.3
|
1.0
|
|
CG
|
I:ASN107
|
3.4
|
10.8
|
1.0
|
|
C3
|
I:GLA201
|
3.4
|
9.8
|
1.0
|
|
C4
|
I:GLA201
|
3.4
|
9.3
|
1.0
|
|
CG
|
I:ASN108
|
3.6
|
11.5
|
1.0
|
|
CG
|
I:ASP100
|
3.6
|
8.6
|
1.0
|
|
OG1
|
I:THR104
|
3.7
|
16.1
|
1.0
|
|
ND2
|
I:ASN107
|
3.8
|
9.8
|
1.0
|
|
CB
|
I:THR104
|
3.9
|
14.1
|
1.0
|
|
C2
|
I:GLA201
|
3.9
|
12.3
|
1.0
|
|
OD1
|
I:ASP100
|
3.9
|
4.3
|
1.0
|
|
CA
|
I:TYR36
|
4.0
|
11.9
|
1.0
|
|
ND2
|
I:ASN108
|
4.0
|
11.5
|
1.0
|
|
CB
|
I:TYR36
|
4.2
|
11.5
|
1.0
|
|
CA
|
I:THR104
|
4.3
|
13.3
|
1.0
|
|
N
|
I:TYR105
|
4.3
|
12.0
|
1.0
|
|
N
|
I:GLY37
|
4.3
|
11.5
|
1.0
|
|
CA
|
I:TYR105
|
4.4
|
11.4
|
1.0
|
|
O2
|
I:GLA201
|
4.5
|
11.9
|
1.0
|
|
N
|
I:ASN108
|
4.6
|
10.8
|
1.0
|
|
O
|
I:HOH2130
|
4.6
|
6.7
|
0.5
|
|
CA
|
I:GLY37
|
4.7
|
11.2
|
1.0
|
|
CB
|
I:ASN107
|
4.7
|
11.0
|
1.0
|
|
C5
|
I:GLA201
|
4.8
|
10.6
|
1.0
|
|
C
|
I:ASN107
|
4.8
|
11.2
|
1.0
|
|
C
|
I:TYR105
|
4.8
|
11.1
|
1.0
|
|
N
|
I:ASN107
|
4.8
|
11.4
|
1.0
|
|
CB
|
I:ASN108
|
4.8
|
11.2
|
1.0
|
|
CD1
|
I:TYR36
|
4.9
|
11.4
|
1.0
|
|
CB
|
I:ASP100
|
5.0
|
8.0
|
1.0
|
|
CA
|
I:ASN108
|
5.0
|
10.8
|
1.0
|
|
CA
|
I:ASN107
|
5.0
|
11.1
|
1.0
|
|
Calcium binding site 10 out
of 24 in 2vxj
Go back to
Calcium Binding Sites List in 2vxj
Calcium binding site 10 out
of 24 in the Crystal Structure of Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution
 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 Pa-Il Lectin Complexed with AGAL13BGAL14GLC at 1.9 A Resolution within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Ca200
b:11.6
occ:1.00
|
O
|
J:THR104
|
2.3
|
10.4
|
1.0
|
|
O
|
J:TYR36
|
2.3
|
12.0
|
1.0
|
|
OD1
|
J:ASN108
|
2.4
|
13.5
|
1.0
|
|
OD1
|
J:ASN107
|
2.4
|
18.2
|
1.0
|
|
O4
|
J:GLA201
|
2.4
|
13.7
|
1.0
|
|
OD2
|
J:ASP100
|
2.6
|
10.3
|
1.0
|
|
O3
|
J:GLA201
|
2.6
|
10.8
|
1.0
|
|
C
|
J:TYR36
|
3.4
|
12.0
|
1.0
|
|
C4
|
J:GLA201
|
3.4
|
14.8
|
1.0
|
|
C3
|
J:GLA201
|
3.4
|
11.3
|
1.0
|
|
CG
|
J:ASN108
|
3.4
|
11.7
|
1.0
|
|
C
|
J:THR104
|
3.5
|
11.4
|
1.0
|
|
CG
|
J:ASN107
|
3.5
|
14.9
|
1.0
|
|
CG
|
J:ASP100
|
3.5
|
8.3
|
1.0
|
|
OD1
|
J:ASP100
|
3.7
|
5.4
|
1.0
|
|
OG1
|
J:THR104
|
3.7
|
10.2
|
1.0
|
|
ND2
|
J:ASN108
|
3.8
|
11.1
|
1.0
|
|
C2
|
J:GLA201
|
3.9
|
12.9
|
1.0
|
|
ND2
|
J:ASN107
|
3.9
|
13.7
|
1.0
|
|
CA
|
J:TYR36
|
4.0
|
11.3
|
1.0
|
|
CB
|
J:THR104
|
4.0
|
11.3
|
1.0
|
|
CB
|
J:TYR36
|
4.2
|
11.0
|
1.0
|
|
CA
|
J:THR104
|
4.4
|
11.0
|
1.0
|
|
N
|
J:TYR105
|
4.4
|
10.6
|
1.0
|
|
CA
|
J:TYR105
|
4.4
|
11.4
|
1.0
|
|
N
|
J:GLY37
|
4.5
|
12.7
|
1.0
|
|
O
|
J:HOH2120
|
4.5
|
11.2
|
1.0
|
|
N
|
J:ASN108
|
4.6
|
12.7
|
1.0
|
|
O2
|
J:GLA201
|
4.6
|
12.4
|
1.0
|
|
C
|
J:TYR105
|
4.7
|
10.6
|
1.0
|
|
CB
|
J:ASN108
|
4.8
|
11.0
|
1.0
|
|
C
|
J:ASN107
|
4.8
|
13.3
|
1.0
|
|
C5
|
J:GLA201
|
4.8
|
13.9
|
1.0
|
|
CB
|
J:ASN107
|
4.8
|
13.6
|
1.0
|
|
N
|
J:ASN107
|
4.8
|
13.1
|
1.0
|
|
CA
|
J:GLY37
|
4.8
|
13.2
|
1.0
|
|
O
|
J:TYR105
|
4.9
|
10.4
|
1.0
|
|
CB
|
J:ASP100
|
4.9
|
8.1
|
1.0
|
|
CA
|
J:ASN108
|
4.9
|
11.9
|
1.0
|
|
Reference:
B.Blanchard,
A.Nurisso,
E.Hollville,
C.Tetaud,
J.Wiels,
M.Pokorna,
M.Wimmerova,
A.Varrot,
A.Imberty.
Structural Basis of the Preferential Binding For Globo-Series Glycosphingolipids Displayed By Pseudomonas Aeruginosa Lectin I. J.Mol.Biol. V. 383 837 2008.
ISSN: ISSN 0022-2836
PubMed: 18762193
DOI: 10.1016/J.JMB.2008.08.028
Page generated: Tue Jul 8 08:47:37 2025
|
