Magnesium in PDB 8y0l: Beta-Glucosidase From Thermoascus Aurantiacus
Enzymatic activity of Beta-Glucosidase From Thermoascus Aurantiacus
All present enzymatic activity of Beta-Glucosidase From Thermoascus Aurantiacus:
3.2.1.21;
Protein crystallography data
The structure of Beta-Glucosidase From Thermoascus Aurantiacus, PDB code: 8y0l
was solved by
C.Matsuzaki,
T.Katayama,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
37.13 /
2.15
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
138.945,
149.752,
175.529,
90,
90,
90
|
R / Rfree (%)
|
16.8 /
20.1
|
Magnesium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Magnesium atom in the Beta-Glucosidase From Thermoascus Aurantiacus
(pdb code 8y0l). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 12 binding sites of Magnesium where determined in the
Beta-Glucosidase From Thermoascus Aurantiacus, PDB code: 8y0l:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Magnesium binding site 1 out
of 12 in 8y0l
Go back to
Magnesium Binding Sites List in 8y0l
Magnesium binding site 1 out
of 12 in the Beta-Glucosidase From Thermoascus Aurantiacus
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Beta-Glucosidase From Thermoascus Aurantiacus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg901
b:21.6
occ:1.00
|
O
|
A:HOH1074
|
2.0
|
16.5
|
1.0
|
O
|
D:HOH1584
|
2.0
|
20.6
|
1.0
|
O
|
A:HOH1047
|
2.0
|
18.7
|
1.0
|
O
|
A:HOH1148
|
2.1
|
14.9
|
1.0
|
O
|
A:HOH1286
|
2.1
|
18.6
|
1.0
|
O
|
A:HOH1270
|
2.2
|
19.7
|
1.0
|
OD2
|
A:ASP357
|
3.9
|
16.4
|
1.0
|
NZ
|
D:LYS620
|
4.0
|
23.6
|
1.0
|
O
|
A:GLU72
|
4.0
|
20.8
|
1.0
|
OE2
|
A:GLU367
|
4.1
|
27.0
|
1.0
|
O
|
A:HOH1651
|
4.2
|
35.4
|
1.0
|
OE1
|
A:GLU367
|
4.4
|
26.5
|
1.0
|
OD1
|
A:ASP357
|
4.4
|
15.8
|
1.0
|
CD1
|
A:TRP359
|
4.5
|
17.2
|
1.0
|
CG
|
A:ASP357
|
4.6
|
15.8
|
1.0
|
CD
|
A:GLU367
|
4.7
|
27.0
|
1.0
|
CE
|
D:LYS620
|
4.7
|
23.5
|
1.0
|
O
|
A:HOH1767
|
4.7
|
27.2
|
1.0
|
C
|
A:GLU72
|
4.8
|
20.8
|
1.0
|
O
|
A:MET70
|
4.8
|
22.6
|
1.0
|
|
Magnesium binding site 2 out
of 12 in 8y0l
Go back to
Magnesium Binding Sites List in 8y0l
Magnesium binding site 2 out
of 12 in the Beta-Glucosidase From Thermoascus Aurantiacus
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Beta-Glucosidase From Thermoascus Aurantiacus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg902
b:15.1
occ:1.00
|
O
|
A:HOH1232
|
2.1
|
14.8
|
1.0
|
O
|
A:HOH1172
|
2.1
|
11.9
|
1.0
|
O
|
A:HOH1226
|
2.1
|
14.1
|
1.0
|
OD1
|
A:ASP273
|
2.1
|
12.9
|
1.0
|
OD2
|
A:ASP36
|
2.2
|
19.6
|
1.0
|
O
|
A:HOH1419
|
2.2
|
13.1
|
1.0
|
CG
|
A:ASP36
|
3.0
|
19.6
|
1.0
|
CG
|
A:ASP273
|
3.1
|
12.9
|
1.0
|
OD1
|
A:ASP36
|
3.3
|
19.5
|
1.0
|
OD2
|
A:ASP273
|
3.5
|
13.1
|
1.0
|
NE2
|
A:GLN275
|
4.0
|
13.5
|
1.0
|
O
|
A:HOH1136
|
4.1
|
11.3
|
1.0
|
O
|
A:HOH1408
|
4.1
|
15.2
|
1.0
|
O
|
A:HOH1038
|
4.1
|
9.6
|
1.0
|
O
|
A:LYS269
|
4.2
|
12.8
|
1.0
|
O
|
A:HOH1683
|
4.3
|
19.0
|
1.0
|
CB
|
A:ASP273
|
4.3
|
12.9
|
1.0
|
O
|
A:TRP34
|
4.4
|
15.4
|
1.0
|
CB
|
A:ASP36
|
4.4
|
19.5
|
1.0
|
O
|
A:HOH1586
|
4.7
|
20.9
|
1.0
|
O
|
A:HOH1071
|
4.7
|
18.6
|
1.0
|
CA
|
A:ASP273
|
4.7
|
12.8
|
1.0
|
N
|
A:ASP36
|
4.9
|
18.6
|
1.0
|
|
Magnesium binding site 3 out
of 12 in 8y0l
Go back to
Magnesium Binding Sites List in 8y0l
Magnesium binding site 3 out
of 12 in the Beta-Glucosidase From Thermoascus Aurantiacus
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Beta-Glucosidase From Thermoascus Aurantiacus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg903
b:39.7
occ:1.00
|
O
|
A:HOH1188
|
2.1
|
28.6
|
1.0
|
O
|
A:HOH1503
|
2.2
|
44.9
|
1.0
|
OE1
|
A:GLU131
|
2.3
|
13.2
|
1.0
|
NE2
|
A:HIS388
|
2.7
|
13.7
|
1.0
|
CD
|
A:GLU131
|
3.2
|
13.1
|
1.0
|
CD2
|
A:HIS388
|
3.3
|
13.7
|
1.0
|
O
|
A:HOH1588
|
3.4
|
43.7
|
1.0
|
O
|
A:HOH1697
|
3.5
|
40.6
|
1.0
|
OE2
|
A:GLU131
|
3.6
|
13.4
|
1.0
|
OD1
|
A:ASP387
|
3.6
|
17.7
|
1.0
|
CE1
|
A:HIS388
|
3.9
|
13.7
|
1.0
|
CB
|
A:ALA386
|
4.5
|
15.6
|
1.0
|
CG
|
A:HIS388
|
4.5
|
13.7
|
1.0
|
CG
|
A:GLU131
|
4.6
|
12.9
|
1.0
|
O
|
A:HOH1205
|
4.8
|
42.0
|
1.0
|
ND1
|
A:HIS388
|
4.8
|
13.7
|
1.0
|
CG
|
A:ASP387
|
4.8
|
17.4
|
1.0
|
O
|
A:HOH1571
|
4.8
|
29.9
|
1.0
|
CB
|
A:GLU131
|
4.9
|
12.7
|
1.0
|
|
Magnesium binding site 4 out
of 12 in 8y0l
Go back to
Magnesium Binding Sites List in 8y0l
Magnesium binding site 4 out
of 12 in the Beta-Glucosidase From Thermoascus Aurantiacus
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Beta-Glucosidase From Thermoascus Aurantiacus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg901
b:17.9
occ:1.00
|
O
|
B:HOH1283
|
2.0
|
16.4
|
1.0
|
OD2
|
B:ASP36
|
2.0
|
19.0
|
1.0
|
O
|
B:HOH1336
|
2.1
|
13.1
|
1.0
|
O
|
B:HOH1242
|
2.1
|
10.2
|
1.0
|
O
|
B:HOH1147
|
2.1
|
13.8
|
1.0
|
OD1
|
B:ASP273
|
2.1
|
13.9
|
1.0
|
CG
|
B:ASP36
|
3.0
|
19.1
|
1.0
|
CG
|
B:ASP273
|
3.1
|
13.9
|
1.0
|
OD1
|
B:ASP36
|
3.3
|
19.1
|
1.0
|
OD2
|
B:ASP273
|
3.5
|
14.0
|
1.0
|
NE2
|
B:GLN275
|
3.8
|
14.5
|
1.0
|
O
|
B:HOH1209
|
4.0
|
17.1
|
1.0
|
O
|
B:HOH1403
|
4.2
|
21.1
|
1.0
|
O
|
B:HOH1036
|
4.2
|
10.3
|
1.0
|
O
|
B:HOH1643
|
4.2
|
14.8
|
1.0
|
O
|
B:LYS269
|
4.3
|
14.9
|
1.0
|
CB
|
B:ASP36
|
4.3
|
19.1
|
1.0
|
O
|
B:HOH1533
|
4.4
|
17.8
|
1.0
|
O
|
B:TRP34
|
4.4
|
16.7
|
1.0
|
CB
|
B:ASP273
|
4.4
|
13.9
|
1.0
|
O
|
B:HOH1420
|
4.7
|
25.4
|
1.0
|
CA
|
B:ASP273
|
4.8
|
13.9
|
1.0
|
N
|
B:ASP36
|
4.8
|
18.4
|
1.0
|
O
|
B:HOH1230
|
4.8
|
43.6
|
1.0
|
CD
|
B:GLN275
|
5.0
|
14.5
|
1.0
|
|
Magnesium binding site 5 out
of 12 in 8y0l
Go back to
Magnesium Binding Sites List in 8y0l
Magnesium binding site 5 out
of 12 in the Beta-Glucosidase From Thermoascus Aurantiacus
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Beta-Glucosidase From Thermoascus Aurantiacus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg902
b:29.3
occ:1.00
|
O
|
B:HOH1249
|
2.0
|
30.1
|
1.0
|
OE1
|
B:GLU131
|
2.1
|
13.6
|
1.0
|
O
|
B:HOH1430
|
2.5
|
40.0
|
1.0
|
NE2
|
B:HIS388
|
2.5
|
14.2
|
1.0
|
CD2
|
B:HIS388
|
3.1
|
14.3
|
1.0
|
CD
|
B:GLU131
|
3.1
|
13.3
|
1.0
|
OE2
|
B:GLU131
|
3.5
|
13.5
|
1.0
|
CE1
|
B:HIS388
|
3.6
|
14.2
|
1.0
|
OD1
|
B:ASP387
|
3.8
|
19.1
|
1.0
|
NZ
|
B:LYS127
|
4.1
|
16.0
|
1.0
|
CG
|
B:HIS388
|
4.4
|
14.3
|
1.0
|
CG
|
B:GLU131
|
4.5
|
12.9
|
1.0
|
O
|
B:HOH1525
|
4.5
|
27.8
|
1.0
|
ND1
|
B:HIS388
|
4.6
|
14.3
|
1.0
|
CB
|
B:GLU131
|
4.7
|
12.7
|
1.0
|
CA
|
B:ALA128
|
4.7
|
12.5
|
1.0
|
CB
|
B:ALA386
|
4.8
|
15.9
|
1.0
|
CB
|
B:ALA128
|
4.8
|
12.6
|
1.0
|
CG
|
B:ASP387
|
4.9
|
18.4
|
1.0
|
|
Magnesium binding site 6 out
of 12 in 8y0l
Go back to
Magnesium Binding Sites List in 8y0l
Magnesium binding site 6 out
of 12 in the Beta-Glucosidase From Thermoascus Aurantiacus
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Beta-Glucosidase From Thermoascus Aurantiacus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg903
b:29.2
occ:1.00
|
O
|
B:HOH1244
|
1.9
|
24.4
|
1.0
|
O
|
B:HOH1288
|
2.0
|
20.6
|
1.0
|
O
|
C:HOH1573
|
2.0
|
30.6
|
1.0
|
O
|
B:HOH1021
|
2.1
|
27.0
|
1.0
|
O
|
B:HOH1171
|
2.1
|
25.0
|
1.0
|
O
|
B:HOH1408
|
2.1
|
31.9
|
1.0
|
O
|
B:GLU72
|
3.8
|
25.5
|
1.0
|
OD2
|
B:ASP357
|
3.9
|
17.0
|
1.0
|
OE2
|
B:GLU367
|
4.1
|
41.2
|
1.0
|
NZ
|
C:LYS620
|
4.1
|
26.1
|
1.0
|
O
|
B:HOH1578
|
4.2
|
38.4
|
1.0
|
OE1
|
B:GLU367
|
4.3
|
41.8
|
1.0
|
OD1
|
B:ASP357
|
4.4
|
16.1
|
1.0
|
CD1
|
B:TRP359
|
4.4
|
17.8
|
1.0
|
CE
|
C:LYS620
|
4.5
|
25.5
|
1.0
|
OD2
|
C:ASP212
|
4.5
|
22.8
|
1.0
|
C
|
B:GLU72
|
4.5
|
25.3
|
1.0
|
CG
|
B:ASP357
|
4.6
|
16.2
|
1.0
|
CD
|
B:GLU367
|
4.7
|
40.3
|
1.0
|
O
|
B:MET70
|
4.7
|
27.9
|
1.0
|
O
|
B:GLN71
|
4.7
|
28.8
|
1.0
|
O
|
C:HOH1537
|
4.8
|
39.3
|
1.0
|
CA
|
B:GLU72
|
4.9
|
26.3
|
1.0
|
OD1
|
C:ASP212
|
5.0
|
22.1
|
1.0
|
|
Magnesium binding site 7 out
of 12 in 8y0l
Go back to
Magnesium Binding Sites List in 8y0l
Magnesium binding site 7 out
of 12 in the Beta-Glucosidase From Thermoascus Aurantiacus
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Beta-Glucosidase From Thermoascus Aurantiacus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg901
b:23.1
occ:1.00
|
O
|
C:HOH1250
|
2.0
|
20.1
|
1.0
|
O
|
C:HOH1379
|
2.0
|
20.1
|
1.0
|
O
|
C:HOH1399
|
2.1
|
19.2
|
1.0
|
OD1
|
C:ASP273
|
2.1
|
17.6
|
1.0
|
O
|
C:HOH1245
|
2.2
|
17.8
|
1.0
|
OD2
|
C:ASP36
|
2.2
|
30.0
|
1.0
|
CG
|
C:ASP273
|
3.1
|
17.6
|
1.0
|
CG
|
C:ASP36
|
3.4
|
29.8
|
1.0
|
OD2
|
C:ASP273
|
3.6
|
18.3
|
1.0
|
NE2
|
C:GLN275
|
3.8
|
17.2
|
1.0
|
O
|
C:HOH1034
|
4.1
|
19.5
|
1.0
|
O
|
C:HOH1207
|
4.1
|
34.9
|
1.0
|
O
|
C:HOH1025
|
4.1
|
14.1
|
1.0
|
CB
|
C:ASP36
|
4.2
|
29.1
|
1.0
|
O
|
C:LYS269
|
4.3
|
18.2
|
1.0
|
OD1
|
C:ASP36
|
4.3
|
30.3
|
1.0
|
CB
|
C:ASP273
|
4.4
|
17.4
|
1.0
|
O
|
C:HOH1684
|
4.5
|
29.2
|
1.0
|
O
|
C:TRP34
|
4.5
|
23.7
|
1.0
|
CA
|
C:ASP273
|
4.7
|
17.2
|
1.0
|
N
|
C:ASP36
|
4.7
|
27.3
|
1.0
|
O
|
C:HOH1600
|
4.7
|
40.1
|
1.0
|
O
|
C:HOH1003
|
4.7
|
23.8
|
1.0
|
|
Magnesium binding site 8 out
of 12 in 8y0l
Go back to
Magnesium Binding Sites List in 8y0l
Magnesium binding site 8 out
of 12 in the Beta-Glucosidase From Thermoascus Aurantiacus
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Beta-Glucosidase From Thermoascus Aurantiacus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg902
b:36.7
occ:1.00
|
O
|
C:HOH1464
|
2.0
|
34.1
|
1.0
|
O
|
C:HOH1485
|
2.0
|
35.1
|
1.0
|
OE1
|
C:GLU131
|
2.0
|
15.6
|
1.0
|
NE2
|
C:HIS388
|
2.6
|
15.0
|
1.0
|
CD
|
C:GLU131
|
3.1
|
15.4
|
1.0
|
CD2
|
C:HIS388
|
3.1
|
14.9
|
1.0
|
OE2
|
C:GLU131
|
3.4
|
15.6
|
1.0
|
O
|
C:HOH1572
|
3.6
|
29.5
|
1.0
|
CE1
|
C:HIS388
|
3.8
|
15.0
|
1.0
|
OD1
|
C:ASP387
|
3.9
|
18.4
|
1.0
|
O
|
C:HOH1394
|
4.4
|
33.2
|
1.0
|
CG
|
C:HIS388
|
4.4
|
14.8
|
1.0
|
CG
|
C:GLU131
|
4.4
|
15.1
|
1.0
|
CA
|
C:ALA128
|
4.6
|
14.2
|
1.0
|
ND1
|
C:HIS388
|
4.7
|
15.0
|
1.0
|
CB
|
C:GLU131
|
4.7
|
14.8
|
1.0
|
CB
|
C:ALA128
|
4.8
|
14.1
|
1.0
|
|
Magnesium binding site 9 out
of 12 in 8y0l
Go back to
Magnesium Binding Sites List in 8y0l
Magnesium binding site 9 out
of 12 in the Beta-Glucosidase From Thermoascus Aurantiacus
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Beta-Glucosidase From Thermoascus Aurantiacus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg903
b:25.0
occ:1.00
|
O
|
C:HOH1019
|
1.9
|
18.6
|
1.0
|
O
|
C:HOH1178
|
2.0
|
18.9
|
1.0
|
O
|
B:HOH1611
|
2.0
|
19.1
|
1.0
|
O
|
C:HOH1069
|
2.1
|
16.7
|
1.0
|
O
|
C:HOH1124
|
2.1
|
24.2
|
1.0
|
O
|
C:HOH1165
|
2.2
|
18.1
|
1.0
|
O
|
C:GLU72
|
3.9
|
22.8
|
1.0
|
OE2
|
C:GLU367
|
4.0
|
26.7
|
1.0
|
OD2
|
C:ASP357
|
4.0
|
17.9
|
1.0
|
NZ
|
B:LYS620
|
4.0
|
20.1
|
1.0
|
O
|
C:HOH1630
|
4.2
|
36.9
|
1.0
|
OE1
|
C:GLU367
|
4.3
|
26.5
|
1.0
|
OD1
|
C:ASP357
|
4.4
|
17.4
|
1.0
|
O
|
C:HOH1695
|
4.5
|
25.9
|
1.0
|
CD1
|
C:TRP359
|
4.5
|
16.3
|
1.0
|
CD
|
C:GLU367
|
4.5
|
26.6
|
1.0
|
CE
|
B:LYS620
|
4.6
|
19.9
|
1.0
|
CG
|
C:ASP357
|
4.6
|
17.4
|
1.0
|
C
|
C:GLU72
|
4.7
|
22.8
|
1.0
|
O
|
C:HOH1306
|
4.7
|
42.1
|
1.0
|
O
|
C:MET70
|
4.8
|
25.0
|
1.0
|
O
|
B:HOH1628
|
4.9
|
32.2
|
1.0
|
O
|
C:GLN71
|
4.9
|
25.3
|
1.0
|
|
Magnesium binding site 10 out
of 12 in 8y0l
Go back to
Magnesium Binding Sites List in 8y0l
Magnesium binding site 10 out
of 12 in the Beta-Glucosidase From Thermoascus Aurantiacus
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Beta-Glucosidase From Thermoascus Aurantiacus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg901
b:26.4
occ:1.00
|
O
|
D:HOH1493
|
2.0
|
27.2
|
1.0
|
O
|
D:HOH1428
|
2.1
|
17.7
|
1.0
|
OD2
|
D:ASP36
|
2.1
|
27.1
|
1.0
|
O
|
D:HOH1352
|
2.1
|
22.7
|
1.0
|
OD1
|
D:ASP273
|
2.1
|
18.8
|
1.0
|
O
|
D:HOH1319
|
2.2
|
26.8
|
1.0
|
CG
|
D:ASP273
|
3.1
|
18.7
|
1.0
|
CG
|
D:ASP36
|
3.3
|
27.6
|
1.0
|
OD2
|
D:ASP273
|
3.6
|
19.0
|
1.0
|
NE2
|
D:GLN275
|
3.9
|
17.8
|
1.0
|
CB
|
D:ASP36
|
4.0
|
27.4
|
1.0
|
O
|
D:HOH1046
|
4.1
|
17.9
|
1.0
|
OD1
|
D:ASP36
|
4.2
|
27.6
|
1.0
|
O
|
D:HOH1016
|
4.2
|
17.0
|
1.0
|
O
|
D:HOH1099
|
4.2
|
27.5
|
1.0
|
O
|
D:HOH1676
|
4.3
|
38.6
|
1.0
|
CB
|
D:ASP273
|
4.4
|
18.4
|
1.0
|
O
|
D:LYS269
|
4.4
|
19.0
|
1.0
|
O
|
D:TRP34
|
4.5
|
22.8
|
1.0
|
N
|
D:ASP36
|
4.7
|
26.5
|
1.0
|
O
|
D:HOH1005
|
4.7
|
22.8
|
1.0
|
CA
|
D:ASP273
|
4.7
|
18.2
|
1.0
|
|
Reference:
C.Matsuzaki,
M.Hidaka,
Y.Nakashima,
Y.Honda,
T.Koyanagi,
K.Ishikawa,
T.Katoh,
H.Kumagai,
T.Katayama.
Structure of Beta-Glucosidase From Thermoascus Aurantiacus To Be Published.
Page generated: Fri Aug 15 21:17:45 2025
|