Manganese in PDB 1lul: DB58, A Legume Lectin From Dolichos Biflorus
Protein crystallography data
The structure of DB58, A Legume Lectin From Dolichos Biflorus, PDB code: 1lul
was solved by
T.W.Hamelryck,
J.Bouckaert,
M.H.Dao-Thi,
L.Wyns,
M.Etzler,
R.Loris,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
3.30
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
101.390,
130.950,
138.230,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
22.6 /
26.6
|
Other elements in 1lul:
The structure of DB58, A Legume Lectin From Dolichos Biflorus also contains other interesting chemical elements:
Manganese Binding Sites:
The binding sites of Manganese atom in the DB58, A Legume Lectin From Dolichos Biflorus
(pdb code 1lul). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 6 binding sites of Manganese where determined in the
DB58, A Legume Lectin From Dolichos Biflorus, PDB code: 1lul:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
Manganese binding site 1 out
of 6 in 1lul
Go back to
Manganese Binding Sites List in 1lul
Manganese binding site 1 out
of 6 in the DB58, A Legume Lectin From Dolichos Biflorus
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of DB58, A Legume Lectin From Dolichos Biflorus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn301
b:57.0
occ:1.00
|
OD1
|
A:ASP133
|
1.6
|
81.2
|
1.0
|
OE2
|
A:GLU123
|
2.0
|
60.8
|
1.0
|
NE2
|
A:HIS138
|
2.3
|
37.1
|
1.0
|
OD2
|
A:ASP125
|
2.4
|
51.2
|
1.0
|
CG
|
A:ASP133
|
2.8
|
65.9
|
1.0
|
CD
|
A:GLU123
|
3.0
|
50.5
|
1.0
|
CE1
|
A:HIS138
|
3.2
|
38.1
|
1.0
|
OE1
|
A:GLU123
|
3.3
|
53.7
|
1.0
|
CD2
|
A:HIS138
|
3.4
|
46.7
|
1.0
|
OD2
|
A:ASP133
|
3.4
|
51.4
|
1.0
|
CG
|
A:ASP125
|
3.5
|
57.1
|
1.0
|
OG
|
A:SER148
|
3.8
|
45.9
|
1.0
|
CB
|
A:ASP125
|
3.8
|
47.1
|
1.0
|
CB
|
A:ASP133
|
4.0
|
54.5
|
1.0
|
NE1
|
A:TRP132
|
4.1
|
78.8
|
1.0
|
O
|
A:ILE146
|
4.2
|
48.6
|
1.0
|
CD1
|
A:TRP132
|
4.2
|
75.3
|
1.0
|
CG
|
A:GLU123
|
4.3
|
31.9
|
1.0
|
CA
|
A:ASP133
|
4.4
|
51.6
|
1.0
|
ND1
|
A:HIS138
|
4.4
|
34.8
|
1.0
|
CD
|
A:PRO134
|
4.5
|
62.0
|
1.0
|
CG
|
A:HIS138
|
4.5
|
40.6
|
1.0
|
OD1
|
A:ASP125
|
4.6
|
65.8
|
1.0
|
CA
|
A:CA302
|
5.0
|
50.4
|
1.0
|
|
Manganese binding site 2 out
of 6 in 1lul
Go back to
Manganese Binding Sites List in 1lul
Manganese binding site 2 out
of 6 in the DB58, A Legume Lectin From Dolichos Biflorus
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of DB58, A Legume Lectin From Dolichos Biflorus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn301
b:49.4
occ:1.00
|
OE2
|
B:GLU123
|
1.9
|
60.0
|
1.0
|
OD1
|
B:ASP133
|
1.9
|
77.9
|
1.0
|
NE2
|
B:HIS138
|
2.4
|
35.3
|
1.0
|
OD2
|
B:ASP125
|
2.7
|
56.2
|
1.0
|
CD
|
B:GLU123
|
2.8
|
49.7
|
1.0
|
CG
|
B:ASP133
|
3.1
|
60.8
|
1.0
|
OE1
|
B:GLU123
|
3.1
|
52.3
|
1.0
|
CD2
|
B:HIS138
|
3.4
|
45.0
|
1.0
|
CE1
|
B:HIS138
|
3.4
|
34.9
|
1.0
|
OG
|
B:SER148
|
3.5
|
54.4
|
1.0
|
OD2
|
B:ASP133
|
3.7
|
43.5
|
1.0
|
CG
|
B:ASP125
|
3.7
|
57.3
|
1.0
|
O
|
B:ILE146
|
4.0
|
46.9
|
1.0
|
CB
|
B:ASP125
|
4.0
|
45.6
|
1.0
|
CG
|
B:GLU123
|
4.1
|
29.8
|
1.0
|
NE1
|
B:TRP132
|
4.2
|
78.0
|
1.0
|
CD1
|
B:TRP132
|
4.3
|
77.1
|
1.0
|
CB
|
B:ASP133
|
4.3
|
55.1
|
1.0
|
CA
|
B:ASP133
|
4.5
|
51.1
|
1.0
|
ND1
|
B:HIS138
|
4.6
|
34.4
|
1.0
|
CD
|
B:PRO134
|
4.6
|
59.9
|
1.0
|
CG
|
B:HIS138
|
4.6
|
41.1
|
1.0
|
CB
|
B:SER148
|
4.7
|
56.2
|
1.0
|
OD1
|
B:ASP125
|
4.9
|
64.7
|
1.0
|
N
|
B:SER148
|
5.0
|
62.6
|
1.0
|
|
Manganese binding site 3 out
of 6 in 1lul
Go back to
Manganese Binding Sites List in 1lul
Manganese binding site 3 out
of 6 in the DB58, A Legume Lectin From Dolichos Biflorus
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of DB58, A Legume Lectin From Dolichos Biflorus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn301
b:57.9
occ:1.00
|
OE2
|
C:GLU123
|
1.6
|
59.9
|
1.0
|
OD1
|
C:ASP133
|
1.9
|
78.2
|
1.0
|
NE2
|
C:HIS138
|
2.1
|
34.7
|
1.0
|
OD2
|
C:ASP125
|
2.4
|
58.9
|
1.0
|
CD
|
C:GLU123
|
2.7
|
47.8
|
1.0
|
CG
|
C:ASP133
|
3.1
|
60.8
|
1.0
|
CE1
|
C:HIS138
|
3.1
|
35.6
|
1.0
|
CD2
|
C:HIS138
|
3.1
|
43.6
|
1.0
|
OE1
|
C:GLU123
|
3.2
|
56.1
|
1.0
|
CG
|
C:ASP125
|
3.3
|
59.8
|
1.0
|
CB
|
C:ASP125
|
3.6
|
46.0
|
1.0
|
OD2
|
C:ASP133
|
3.6
|
46.9
|
1.0
|
OG
|
C:SER148
|
3.7
|
49.6
|
1.0
|
CG
|
C:GLU123
|
4.0
|
26.9
|
1.0
|
ND1
|
C:HIS138
|
4.2
|
37.5
|
1.0
|
CG
|
C:HIS138
|
4.3
|
39.7
|
1.0
|
CB
|
C:ASP133
|
4.3
|
53.4
|
1.0
|
O
|
C:ILE146
|
4.4
|
44.0
|
1.0
|
NE1
|
C:TRP132
|
4.5
|
75.2
|
1.0
|
OD1
|
C:ASP125
|
4.5
|
67.0
|
1.0
|
CD
|
C:PRO134
|
4.6
|
62.0
|
1.0
|
CD1
|
C:TRP132
|
4.6
|
76.9
|
1.0
|
CA
|
C:ASP133
|
4.6
|
48.9
|
1.0
|
CA
|
C:CA302
|
4.7
|
45.8
|
1.0
|
|
Manganese binding site 4 out
of 6 in 1lul
Go back to
Manganese Binding Sites List in 1lul
Manganese binding site 4 out
of 6 in the DB58, A Legume Lectin From Dolichos Biflorus
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of DB58, A Legume Lectin From Dolichos Biflorus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn301
b:49.1
occ:1.00
|
OD1
|
D:ASP133
|
1.8
|
74.8
|
1.0
|
OE2
|
D:GLU123
|
1.8
|
54.3
|
1.0
|
OD2
|
D:ASP125
|
2.4
|
54.1
|
1.0
|
NE2
|
D:HIS138
|
2.5
|
34.4
|
1.0
|
CD
|
D:GLU123
|
2.7
|
46.5
|
1.0
|
CG
|
D:ASP133
|
2.9
|
58.6
|
1.0
|
OE1
|
D:GLU123
|
3.0
|
55.1
|
1.0
|
CE1
|
D:HIS138
|
3.4
|
34.7
|
1.0
|
OD2
|
D:ASP133
|
3.4
|
43.3
|
1.0
|
CG
|
D:ASP125
|
3.4
|
55.4
|
1.0
|
CD2
|
D:HIS138
|
3.5
|
41.1
|
1.0
|
OG
|
D:SER148
|
3.8
|
47.8
|
1.0
|
CB
|
D:ASP125
|
3.8
|
45.0
|
1.0
|
O
|
D:ILE146
|
4.0
|
44.1
|
1.0
|
NE1
|
D:TRP132
|
4.0
|
75.2
|
1.0
|
CG
|
D:GLU123
|
4.1
|
25.9
|
1.0
|
CD1
|
D:TRP132
|
4.2
|
74.6
|
1.0
|
CB
|
D:ASP133
|
4.2
|
53.7
|
1.0
|
CA
|
D:ASP133
|
4.6
|
48.2
|
1.0
|
OD1
|
D:ASP125
|
4.6
|
63.3
|
1.0
|
ND1
|
D:HIS138
|
4.6
|
34.0
|
1.0
|
CG
|
D:HIS138
|
4.7
|
38.3
|
1.0
|
CA
|
D:CA302
|
4.7
|
50.1
|
1.0
|
CD
|
D:PRO134
|
4.8
|
61.9
|
1.0
|
|
Manganese binding site 5 out
of 6 in 1lul
Go back to
Manganese Binding Sites List in 1lul
Manganese binding site 5 out
of 6 in the DB58, A Legume Lectin From Dolichos Biflorus
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of DB58, A Legume Lectin From Dolichos Biflorus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn301
b:49.0
occ:1.00
|
OE2
|
E:GLU123
|
1.7
|
60.4
|
1.0
|
OD1
|
E:ASP133
|
2.0
|
79.2
|
1.0
|
NE2
|
E:HIS138
|
2.3
|
35.1
|
1.0
|
OD2
|
E:ASP125
|
2.5
|
54.2
|
1.0
|
CD
|
E:GLU123
|
2.7
|
50.1
|
1.0
|
OE1
|
E:GLU123
|
3.0
|
57.4
|
1.0
|
CG
|
E:ASP133
|
3.1
|
60.3
|
1.0
|
CD2
|
E:HIS138
|
3.3
|
44.4
|
1.0
|
CE1
|
E:HIS138
|
3.3
|
37.2
|
1.0
|
CG
|
E:ASP125
|
3.5
|
51.7
|
1.0
|
OG
|
E:SER148
|
3.6
|
48.5
|
1.0
|
OD2
|
E:ASP133
|
3.7
|
41.3
|
1.0
|
CB
|
E:ASP125
|
3.8
|
40.5
|
1.0
|
CG
|
E:GLU123
|
4.0
|
27.6
|
1.0
|
O
|
E:ILE146
|
4.2
|
48.0
|
1.0
|
NE1
|
E:TRP132
|
4.3
|
77.2
|
1.0
|
CB
|
E:ASP133
|
4.4
|
52.8
|
1.0
|
CD1
|
E:TRP132
|
4.4
|
74.9
|
1.0
|
ND1
|
E:HIS138
|
4.5
|
38.4
|
1.0
|
CG
|
E:HIS138
|
4.5
|
42.5
|
1.0
|
CA
|
E:CA302
|
4.6
|
47.1
|
1.0
|
CA
|
E:ASP133
|
4.6
|
48.5
|
1.0
|
CD
|
E:PRO134
|
4.7
|
60.7
|
1.0
|
OD1
|
E:ASP125
|
4.7
|
61.0
|
1.0
|
CB
|
E:SER148
|
4.9
|
45.1
|
1.0
|
|
Manganese binding site 6 out
of 6 in 1lul
Go back to
Manganese Binding Sites List in 1lul
Manganese binding site 6 out
of 6 in the DB58, A Legume Lectin From Dolichos Biflorus
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of DB58, A Legume Lectin From Dolichos Biflorus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mn301
b:61.0
occ:1.00
|
OE2
|
F:GLU123
|
1.8
|
60.7
|
1.0
|
OD1
|
F:ASP133
|
1.8
|
80.4
|
1.0
|
NE2
|
F:HIS138
|
2.3
|
37.0
|
1.0
|
OD2
|
F:ASP125
|
2.5
|
57.3
|
1.0
|
CD
|
F:GLU123
|
2.8
|
53.0
|
1.0
|
CG
|
F:ASP133
|
3.0
|
63.5
|
1.0
|
OE1
|
F:GLU123
|
3.2
|
56.7
|
1.0
|
CE1
|
F:HIS138
|
3.2
|
37.9
|
1.0
|
CD2
|
F:HIS138
|
3.3
|
45.8
|
1.0
|
CG
|
F:ASP125
|
3.5
|
55.0
|
1.0
|
OD2
|
F:ASP133
|
3.6
|
49.5
|
1.0
|
OG
|
F:SER148
|
3.7
|
54.3
|
1.0
|
CB
|
F:ASP125
|
3.8
|
41.3
|
1.0
|
CG
|
F:GLU123
|
4.1
|
34.2
|
1.0
|
O
|
F:ILE146
|
4.2
|
45.9
|
1.0
|
CB
|
F:ASP133
|
4.2
|
56.1
|
1.0
|
NE1
|
F:TRP132
|
4.2
|
74.4
|
1.0
|
CD1
|
F:TRP132
|
4.3
|
75.2
|
1.0
|
ND1
|
F:HIS138
|
4.4
|
37.1
|
1.0
|
CG
|
F:HIS138
|
4.5
|
41.7
|
1.0
|
CA
|
F:ASP133
|
4.5
|
52.0
|
1.0
|
CD
|
F:PRO134
|
4.5
|
64.8
|
1.0
|
OD1
|
F:ASP125
|
4.7
|
63.9
|
1.0
|
CB
|
F:SER148
|
4.9
|
53.3
|
1.0
|
|
Reference:
T.W.Hamelryck,
R.Loris,
J.Bouckaert,
M.H.Dao-Thi,
G.Strecker,
A.Imberty,
E.Fernandez,
L.Wyns,
M.E.Etzler.
Carbohydrate Binding, Quaternary Structure and A Novel Hydrophobic Binding Site in Two Legume Lectin Oligomers From Dolichos Biflorus. J.Mol.Biol. V. 286 1161 1999.
ISSN: ISSN 0022-2836
PubMed: 10047489
DOI: 10.1006/JMBI.1998.2534
Page generated: Sat Oct 5 11:37:09 2024
|