Manganese 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:
Manganese Binding Sites:
The binding sites of Manganese 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 Manganese atom.
In total 4 binding sites of Manganese where determined in the
Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose, PDB code: 1qot:
Jump to Manganese binding site number:
1;
2;
3;
4;
Manganese binding site 1 out
of 4 in 1qot
Go back to
Manganese Binding Sites List in 1qot
Manganese 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 Manganese with other atoms in the Mn 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:Mn301
b:10.5
occ:1.00
|
OD1
|
A:ASP139
|
1.9
|
27.6
|
1.0
|
OD2
|
A:ASP128
|
2.0
|
19.6
|
1.0
|
OE2
|
A:GLU126
|
2.1
|
18.4
|
1.0
|
NE2
|
A:HIS144
|
2.1
|
19.9
|
1.0
|
CG
|
A:ASP139
|
2.9
|
27.8
|
1.0
|
CE1
|
A:HIS144
|
3.0
|
19.5
|
1.0
|
CD
|
A:GLU126
|
3.0
|
17.4
|
1.0
|
CG
|
A:ASP128
|
3.1
|
19.0
|
1.0
|
CD2
|
A:HIS144
|
3.2
|
19.5
|
1.0
|
OE1
|
A:GLU126
|
3.3
|
19.2
|
1.0
|
OD2
|
A:ASP139
|
3.5
|
27.9
|
1.0
|
CB
|
A:ASP128
|
3.6
|
18.9
|
1.0
|
OG
|
A:SER154
|
3.9
|
20.6
|
1.0
|
CB
|
A:ASP139
|
4.1
|
28.6
|
1.0
|
ND1
|
A:HIS144
|
4.2
|
19.3
|
1.0
|
OD1
|
A:ASP128
|
4.2
|
19.1
|
1.0
|
CG
|
A:HIS144
|
4.3
|
19.6
|
1.0
|
O
|
A:ILE152
|
4.4
|
23.4
|
1.0
|
CA
|
A:CA302
|
4.4
|
23.6
|
1.0
|
CD1
|
A:TRP138
|
4.4
|
31.9
|
1.0
|
CG
|
A:GLU126
|
4.4
|
15.9
|
1.0
|
CA
|
A:ASP139
|
4.4
|
29.6
|
1.0
|
NE1
|
A:TRP138
|
4.5
|
31.9
|
1.0
|
CD
|
A:PRO140
|
4.6
|
28.7
|
1.0
|
|
Manganese binding site 2 out
of 4 in 1qot
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Manganese Binding Sites List in 1qot
Manganese 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 Manganese with other atoms in the Mn 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:Mn303
b:7.2
occ:1.00
|
OE2
|
B:GLU126
|
2.0
|
18.3
|
1.0
|
OD1
|
B:ASP139
|
2.0
|
27.9
|
1.0
|
OD2
|
B:ASP128
|
2.1
|
19.3
|
1.0
|
NE2
|
B:HIS144
|
2.2
|
19.2
|
1.0
|
CD
|
B:GLU126
|
2.9
|
17.4
|
1.0
|
CG
|
B:ASP139
|
3.1
|
28.0
|
1.0
|
OE1
|
B:GLU126
|
3.1
|
18.2
|
1.0
|
CE1
|
B:HIS144
|
3.1
|
19.3
|
1.0
|
CG
|
B:ASP128
|
3.2
|
19.4
|
1.0
|
CD2
|
B:HIS144
|
3.2
|
19.3
|
1.0
|
OD2
|
B:ASP139
|
3.6
|
27.8
|
1.0
|
CB
|
B:ASP128
|
3.7
|
18.7
|
1.0
|
OG
|
B:SER154
|
3.8
|
21.2
|
1.0
|
OD1
|
B:ASP128
|
4.3
|
19.8
|
1.0
|
CB
|
B:ASP139
|
4.3
|
28.4
|
1.0
|
O
|
B:ILE152
|
4.3
|
22.9
|
1.0
|
ND1
|
B:HIS144
|
4.3
|
20.0
|
1.0
|
CG
|
B:GLU126
|
4.3
|
16.6
|
1.0
|
CG
|
B:HIS144
|
4.4
|
19.7
|
1.0
|
CA
|
B:CA304
|
4.4
|
22.4
|
1.0
|
CD1
|
B:TRP138
|
4.4
|
31.9
|
1.0
|
NE1
|
B:TRP138
|
4.5
|
31.9
|
1.0
|
CA
|
B:ASP139
|
4.6
|
29.5
|
1.0
|
CD
|
B:PRO140
|
4.7
|
28.5
|
1.0
|
|
Manganese binding site 3 out
of 4 in 1qot
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Manganese Binding Sites List in 1qot
Manganese 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 Manganese with other atoms in the Mn 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:Mn305
b:10.8
occ:1.00
|
OD1
|
C:ASP139
|
2.0
|
27.4
|
1.0
|
OE2
|
C:GLU126
|
2.0
|
18.4
|
1.0
|
OD2
|
C:ASP128
|
2.1
|
19.4
|
1.0
|
NE2
|
C:HIS144
|
2.1
|
19.5
|
1.0
|
CD
|
C:GLU126
|
2.9
|
17.6
|
1.0
|
CG
|
C:ASP139
|
3.0
|
27.9
|
1.0
|
CE1
|
C:HIS144
|
3.1
|
19.2
|
1.0
|
OE1
|
C:GLU126
|
3.2
|
18.2
|
1.0
|
CG
|
C:ASP128
|
3.2
|
19.3
|
1.0
|
CD2
|
C:HIS144
|
3.2
|
19.8
|
1.0
|
OD2
|
C:ASP139
|
3.6
|
28.3
|
1.0
|
CB
|
C:ASP128
|
3.7
|
18.7
|
1.0
|
OG
|
C:SER154
|
3.8
|
21.2
|
1.0
|
CB
|
C:ASP139
|
4.2
|
28.3
|
1.0
|
ND1
|
C:HIS144
|
4.2
|
19.3
|
1.0
|
OD1
|
C:ASP128
|
4.3
|
19.6
|
1.0
|
CG
|
C:HIS144
|
4.3
|
19.3
|
1.0
|
O
|
C:ILE152
|
4.3
|
23.4
|
1.0
|
CG
|
C:GLU126
|
4.4
|
16.4
|
1.0
|
CD1
|
C:TRP138
|
4.4
|
31.6
|
1.0
|
NE1
|
C:TRP138
|
4.5
|
30.6
|
1.0
|
CA
|
C:ASP139
|
4.5
|
29.3
|
1.0
|
CA
|
C:CA306
|
4.6
|
22.4
|
1.0
|
CD
|
C:PRO140
|
4.7
|
28.5
|
1.0
|
|
Manganese binding site 4 out
of 4 in 1qot
Go back to
Manganese Binding Sites List in 1qot
Manganese 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 Manganese with other atoms in the Mn 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:Mn307
b:9.8
occ:1.00
|
OD1
|
D:ASP139
|
2.0
|
28.1
|
1.0
|
OE2
|
D:GLU126
|
2.1
|
18.4
|
1.0
|
OD2
|
D:ASP128
|
2.1
|
19.6
|
1.0
|
NE2
|
D:HIS144
|
2.3
|
19.2
|
1.0
|
CD
|
D:GLU126
|
2.9
|
17.5
|
1.0
|
CG
|
D:ASP139
|
3.0
|
28.4
|
1.0
|
OE1
|
D:GLU126
|
3.1
|
18.0
|
1.0
|
CE1
|
D:HIS144
|
3.2
|
19.7
|
1.0
|
CG
|
D:ASP128
|
3.2
|
18.8
|
1.0
|
CD2
|
D:HIS144
|
3.3
|
19.1
|
1.0
|
OD2
|
D:ASP139
|
3.6
|
27.2
|
1.0
|
CB
|
D:ASP128
|
3.8
|
18.4
|
1.0
|
OG
|
D:SER154
|
3.8
|
20.8
|
1.0
|
O
|
D:ILE152
|
4.2
|
23.1
|
1.0
|
CB
|
D:ASP139
|
4.2
|
28.4
|
1.0
|
OD1
|
D:ASP128
|
4.3
|
19.8
|
1.0
|
CD1
|
D:TRP138
|
4.3
|
31.9
|
1.0
|
CG
|
D:GLU126
|
4.3
|
16.5
|
1.0
|
ND1
|
D:HIS144
|
4.3
|
19.8
|
1.0
|
NE1
|
D:TRP138
|
4.4
|
31.2
|
1.0
|
CG
|
D:HIS144
|
4.4
|
19.6
|
1.0
|
CA
|
D:ASP139
|
4.5
|
29.5
|
1.0
|
CA
|
D:CA308
|
4.6
|
22.9
|
1.0
|
CD
|
D:PRO140
|
4.7
|
28.7
|
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: Sat Oct 5 12:14:57 2024
|