Calcium in PDB 1qot: Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose
Protein crystallography data
The structure of Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose, PDB code: 1qot
was solved by
R.Loris,
H.De Greve,
M.-H.Dao-Thi,
J.Messens,
A.Imberty,
L.Wyns,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
3.00
|
Space group
|
P 32 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
104.770,
104.770,
175.190,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
19.2 /
21.5
|
Other elements in 1qot:
The structure of Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose
(pdb code 1qot). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the
Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose, PDB code: 1qot:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 1qot
Go back to
Calcium Binding Sites List in 1qot
Calcium binding site 1 out
of 4 in the Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca302
b:23.6
occ:1.00
|
OD1
|
A:ASN136
|
2.2
|
45.3
|
1.0
|
OD1
|
A:ASP128
|
2.2
|
19.1
|
1.0
|
OD2
|
A:ASP139
|
2.2
|
27.9
|
1.0
|
O
|
A:TYR130
|
2.4
|
30.9
|
1.0
|
OD2
|
A:ASP128
|
2.8
|
19.6
|
1.0
|
CG
|
A:ASP128
|
2.9
|
19.0
|
1.0
|
CG
|
A:ASN136
|
3.4
|
44.5
|
1.0
|
CG
|
A:ASP139
|
3.4
|
27.8
|
1.0
|
C
|
A:TYR130
|
3.6
|
31.2
|
1.0
|
OD1
|
A:ASP139
|
3.9
|
27.6
|
1.0
|
CB
|
A:ASN136
|
4.1
|
43.7
|
1.0
|
OD1
|
A:ASP86
|
4.2
|
26.4
|
1.0
|
CB
|
A:ASP128
|
4.3
|
18.9
|
1.0
|
CD2
|
A:TYR130
|
4.4
|
32.3
|
1.0
|
CA
|
A:TYR130
|
4.4
|
29.0
|
1.0
|
MN
|
A:MN301
|
4.4
|
10.5
|
1.0
|
O
|
A:GLY106
|
4.4
|
20.9
|
1.0
|
CB
|
A:TYR130
|
4.4
|
30.3
|
1.0
|
ND2
|
A:ASN136
|
4.4
|
45.7
|
1.0
|
N
|
A:TYR130
|
4.5
|
25.5
|
1.0
|
NE1
|
A:TRP138
|
4.5
|
31.9
|
1.0
|
O
|
A:ASP86
|
4.6
|
22.7
|
1.0
|
N
|
A:PHE131
|
4.6
|
34.5
|
1.0
|
CB
|
A:ASP139
|
4.6
|
28.6
|
1.0
|
CZ
|
A:PHE108
|
4.7
|
19.2
|
1.0
|
CA
|
A:PHE131
|
4.7
|
37.7
|
1.0
|
CG
|
A:TYR130
|
4.9
|
31.9
|
1.0
|
CA
|
A:GLY106
|
4.9
|
21.6
|
1.0
|
CE1
|
A:HIS144
|
5.0
|
19.5
|
1.0
|
|
Calcium binding site 2 out
of 4 in 1qot
Go back to
Calcium Binding Sites List in 1qot
Calcium binding site 2 out
of 4 in the Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca304
b:22.4
occ:1.00
|
OD1
|
B:ASP128
|
2.2
|
19.8
|
1.0
|
OD1
|
B:ASN136
|
2.3
|
46.5
|
1.0
|
OD2
|
B:ASP139
|
2.3
|
27.8
|
1.0
|
O
|
B:TYR130
|
2.6
|
31.0
|
1.0
|
OD2
|
B:ASP128
|
2.8
|
19.3
|
1.0
|
CG
|
B:ASP128
|
2.8
|
19.4
|
1.0
|
CG
|
B:ASN136
|
3.4
|
45.8
|
1.0
|
CG
|
B:ASP139
|
3.5
|
28.0
|
1.0
|
C
|
B:TYR130
|
3.8
|
31.4
|
1.0
|
OD1
|
B:ASP139
|
3.9
|
27.9
|
1.0
|
OD1
|
B:ASP86
|
4.2
|
25.9
|
1.0
|
CB
|
B:ASN136
|
4.2
|
44.7
|
1.0
|
O
|
B:GLY106
|
4.2
|
20.9
|
1.0
|
CB
|
B:ASP128
|
4.3
|
18.7
|
1.0
|
MN
|
B:MN303
|
4.4
|
7.2
|
1.0
|
NE1
|
B:TRP138
|
4.4
|
31.9
|
1.0
|
ND2
|
B:ASN136
|
4.5
|
46.9
|
1.0
|
CZ
|
B:PHE108
|
4.5
|
19.1
|
1.0
|
O
|
B:ASP86
|
4.5
|
23.4
|
1.0
|
CD2
|
B:TYR130
|
4.5
|
32.6
|
1.0
|
CB
|
B:TYR130
|
4.6
|
30.1
|
1.0
|
CA
|
B:TYR130
|
4.6
|
29.1
|
1.0
|
N
|
B:TYR130
|
4.6
|
25.4
|
1.0
|
CB
|
B:ASP139
|
4.7
|
28.4
|
1.0
|
N
|
B:PHE131
|
4.8
|
34.4
|
1.0
|
CA
|
B:GLY106
|
4.8
|
21.9
|
1.0
|
CA
|
B:PHE131
|
4.9
|
37.5
|
1.0
|
C
|
B:GLY106
|
5.0
|
21.2
|
1.0
|
|
Calcium binding site 3 out
of 4 in 1qot
Go back to
Calcium Binding Sites List in 1qot
Calcium binding site 3 out
of 4 in the Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca306
b:22.4
occ:1.00
|
OD1
|
C:ASN136
|
2.2
|
41.7
|
1.0
|
OD1
|
C:ASP128
|
2.2
|
19.6
|
1.0
|
OD2
|
C:ASP139
|
2.4
|
28.3
|
1.0
|
O
|
C:TYR130
|
2.5
|
30.5
|
1.0
|
CG
|
C:ASP128
|
2.9
|
19.3
|
1.0
|
OD2
|
C:ASP128
|
3.0
|
19.4
|
1.0
|
CG
|
C:ASN136
|
3.4
|
41.4
|
1.0
|
C
|
C:TYR130
|
3.6
|
31.0
|
1.0
|
CG
|
C:ASP139
|
3.6
|
27.9
|
1.0
|
OD1
|
C:ASP86
|
4.0
|
25.7
|
1.0
|
OD1
|
C:ASP139
|
4.1
|
27.4
|
1.0
|
CB
|
C:ASN136
|
4.1
|
41.4
|
1.0
|
CB
|
C:TYR130
|
4.3
|
30.2
|
1.0
|
CD2
|
C:TYR130
|
4.3
|
33.0
|
1.0
|
O
|
C:GLY106
|
4.3
|
21.1
|
1.0
|
CA
|
C:TYR130
|
4.3
|
28.7
|
1.0
|
ND2
|
C:ASN136
|
4.4
|
41.9
|
1.0
|
CB
|
C:ASP128
|
4.4
|
18.7
|
1.0
|
O
|
C:ASP86
|
4.4
|
23.2
|
1.0
|
N
|
C:TYR130
|
4.4
|
25.4
|
1.0
|
CZ
|
C:PHE108
|
4.6
|
19.3
|
1.0
|
NE1
|
C:TRP138
|
4.6
|
30.6
|
1.0
|
N
|
C:PHE131
|
4.6
|
34.2
|
1.0
|
MN
|
C:MN305
|
4.6
|
10.8
|
1.0
|
CA
|
C:GLY106
|
4.8
|
21.8
|
1.0
|
CB
|
C:ASP139
|
4.8
|
28.3
|
1.0
|
CG
|
C:TYR130
|
4.8
|
32.0
|
1.0
|
CA
|
C:PHE131
|
4.8
|
37.4
|
1.0
|
|
Calcium binding site 4 out
of 4 in 1qot
Go back to
Calcium Binding Sites List in 1qot
Calcium binding site 4 out
of 4 in the Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca308
b:22.9
occ:1.00
|
OD1
|
D:ASP128
|
2.1
|
19.8
|
1.0
|
OD1
|
D:ASN136
|
2.3
|
45.7
|
1.0
|
O
|
D:TYR130
|
2.5
|
30.7
|
1.0
|
OD2
|
D:ASP139
|
2.5
|
27.2
|
1.0
|
CG
|
D:ASP128
|
2.8
|
18.8
|
1.0
|
OD2
|
D:ASP128
|
2.9
|
19.6
|
1.0
|
CG
|
D:ASN136
|
3.5
|
44.8
|
1.0
|
C
|
D:TYR130
|
3.7
|
31.1
|
1.0
|
CG
|
D:ASP139
|
3.7
|
28.4
|
1.0
|
OD1
|
D:ASP86
|
4.0
|
26.1
|
1.0
|
OD1
|
D:ASP139
|
4.2
|
28.1
|
1.0
|
CB
|
D:ASN136
|
4.3
|
43.3
|
1.0
|
O
|
D:ASP86
|
4.3
|
22.6
|
1.0
|
O
|
D:GLY106
|
4.3
|
20.5
|
1.0
|
CB
|
D:ASP128
|
4.3
|
18.4
|
1.0
|
CB
|
D:TYR130
|
4.3
|
29.9
|
1.0
|
CA
|
D:TYR130
|
4.3
|
28.9
|
1.0
|
CD2
|
D:TYR130
|
4.4
|
33.1
|
1.0
|
N
|
D:TYR130
|
4.4
|
25.3
|
1.0
|
CZ
|
D:PHE108
|
4.5
|
19.5
|
1.0
|
ND2
|
D:ASN136
|
4.5
|
45.2
|
1.0
|
MN
|
D:MN307
|
4.6
|
9.8
|
1.0
|
N
|
D:PHE131
|
4.7
|
34.3
|
1.0
|
NE1
|
D:TRP138
|
4.7
|
31.2
|
1.0
|
CA
|
D:GLY106
|
4.8
|
21.7
|
1.0
|
CG
|
D:TYR130
|
4.9
|
32.0
|
1.0
|
CB
|
D:ASP139
|
4.9
|
28.4
|
1.0
|
CA
|
D:PHE131
|
4.9
|
37.5
|
1.0
|
CA
|
D:ASP128
|
4.9
|
17.7
|
1.0
|
C
|
D:GLY106
|
5.0
|
21.1
|
1.0
|
|
Reference:
R.Loris,
H.De Greve,
M.-H.Dao-Thi,
J.Messens,
A.Imberty,
L.Wyns.
Structural Basis of Carbohydrate Recognition By Lectin II From Ulex Europaeus, A Protein with A Promiscuous Carbohydrate Binding Site J.Mol.Biol. V. 301 987 2000.
ISSN: ISSN 0022-2836
PubMed: 10966800
DOI: 10.1006/JMBI.2000.4016
Page generated: Thu Jul 11 21:57:11 2024
|