Magnesium in PDB 6tsk: Beta-Galactosidase in Complex with L-Ribose
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Beta-Galactosidase in Complex with L-Ribose
(pdb code 6tsk). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
Beta-Galactosidase in Complex with L-Ribose, PDB code: 6tsk:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 6tsk
Go back to
Magnesium Binding Sites List in 6tsk
Magnesium binding site 1 out
of 4 in the Beta-Galactosidase in Complex with L-Ribose
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Beta-Galactosidase in Complex with L-Ribose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg3001
b:3.9
occ:1.00
|
OE2
|
A:GLU416
|
2.1
|
11.8
|
1.0
|
O
|
A:HOH3136
|
2.2
|
1.5
|
1.0
|
O
|
A:HOH3208
|
2.3
|
1.1
|
1.0
|
OE1
|
A:GLU461
|
2.4
|
22.0
|
1.0
|
ND1
|
A:HIS418
|
2.4
|
9.3
|
1.0
|
O
|
A:HOH3114
|
2.4
|
0.5
|
1.0
|
CE1
|
A:HIS418
|
3.3
|
10.2
|
1.0
|
CD
|
A:GLU416
|
3.3
|
11.0
|
1.0
|
CD
|
A:GLU461
|
3.3
|
31.7
|
1.0
|
CG
|
A:HIS418
|
3.4
|
9.4
|
1.0
|
CB
|
A:HIS418
|
3.7
|
6.4
|
1.0
|
OE1
|
A:GLU416
|
3.8
|
12.5
|
1.0
|
OE2
|
A:GLU461
|
4.0
|
43.4
|
1.0
|
OD1
|
A:ASN102
|
4.2
|
11.1
|
1.0
|
O
|
A:ASP199
|
4.3
|
4.9
|
1.0
|
CB
|
A:ASP201
|
4.3
|
10.3
|
1.0
|
CG
|
A:GLU461
|
4.4
|
23.6
|
1.0
|
O2
|
A:0MK3002
|
4.4
|
14.9
|
1.0
|
CB
|
A:GLU461
|
4.4
|
12.2
|
1.0
|
N
|
A:ASP201
|
4.4
|
9.3
|
1.0
|
O3
|
A:0MK3002
|
4.5
|
12.1
|
1.0
|
NE2
|
A:HIS418
|
4.5
|
11.1
|
1.0
|
CG
|
A:GLU416
|
4.5
|
8.2
|
1.0
|
CD2
|
A:HIS418
|
4.5
|
9.0
|
1.0
|
ND2
|
A:ASN460
|
4.5
|
11.8
|
1.0
|
C1
|
A:0MK3002
|
4.7
|
18.2
|
1.0
|
O
|
A:ASN102
|
4.8
|
8.9
|
1.0
|
O1
|
A:0MK3002
|
4.8
|
16.9
|
1.0
|
CA
|
A:ASP201
|
5.0
|
9.7
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 6tsk
Go back to
Magnesium Binding Sites List in 6tsk
Magnesium binding site 2 out
of 4 in the Beta-Galactosidase in Complex with L-Ribose
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Beta-Galactosidase in Complex with L-Ribose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg3001
b:3.9
occ:1.00
|
OE2
|
B:GLU416
|
2.1
|
11.8
|
1.0
|
O
|
B:HOH3136
|
2.2
|
1.5
|
1.0
|
O
|
B:HOH3208
|
2.3
|
1.1
|
1.0
|
OE1
|
B:GLU461
|
2.4
|
22.0
|
1.0
|
ND1
|
B:HIS418
|
2.4
|
9.3
|
1.0
|
O
|
B:HOH3114
|
2.4
|
0.5
|
1.0
|
CE1
|
B:HIS418
|
3.3
|
10.2
|
1.0
|
CD
|
B:GLU416
|
3.3
|
11.0
|
1.0
|
CD
|
B:GLU461
|
3.3
|
31.7
|
1.0
|
CG
|
B:HIS418
|
3.4
|
9.4
|
1.0
|
CB
|
B:HIS418
|
3.7
|
6.4
|
1.0
|
OE1
|
B:GLU416
|
3.8
|
12.5
|
1.0
|
OE2
|
B:GLU461
|
4.0
|
43.4
|
1.0
|
OD1
|
B:ASN102
|
4.2
|
11.1
|
1.0
|
O
|
B:ASP199
|
4.3
|
4.9
|
1.0
|
CB
|
B:ASP201
|
4.3
|
10.3
|
1.0
|
CG
|
B:GLU461
|
4.4
|
23.6
|
1.0
|
O2
|
B:0MK3002
|
4.4
|
14.9
|
1.0
|
CB
|
B:GLU461
|
4.4
|
12.2
|
1.0
|
N
|
B:ASP201
|
4.4
|
9.3
|
1.0
|
O3
|
B:0MK3002
|
4.5
|
12.1
|
1.0
|
NE2
|
B:HIS418
|
4.5
|
11.1
|
1.0
|
CG
|
B:GLU416
|
4.5
|
8.2
|
1.0
|
CD2
|
B:HIS418
|
4.5
|
9.0
|
1.0
|
ND2
|
B:ASN460
|
4.5
|
11.8
|
1.0
|
C1
|
B:0MK3002
|
4.7
|
18.2
|
1.0
|
O
|
B:ASN102
|
4.8
|
8.9
|
1.0
|
O1
|
B:0MK3002
|
4.8
|
16.9
|
1.0
|
CA
|
B:ASP201
|
5.0
|
9.7
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 6tsk
Go back to
Magnesium Binding Sites List in 6tsk
Magnesium binding site 3 out
of 4 in the Beta-Galactosidase in Complex with L-Ribose
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Beta-Galactosidase in Complex with L-Ribose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg3001
b:3.9
occ:1.00
|
OE2
|
C:GLU416
|
2.1
|
11.8
|
1.0
|
O
|
C:HOH3136
|
2.2
|
1.5
|
1.0
|
O
|
C:HOH3208
|
2.3
|
1.1
|
1.0
|
OE1
|
C:GLU461
|
2.4
|
22.0
|
1.0
|
ND1
|
C:HIS418
|
2.4
|
9.3
|
1.0
|
O
|
C:HOH3114
|
2.4
|
0.5
|
1.0
|
CE1
|
C:HIS418
|
3.3
|
10.2
|
1.0
|
CD
|
C:GLU416
|
3.3
|
11.0
|
1.0
|
CD
|
C:GLU461
|
3.3
|
31.7
|
1.0
|
CG
|
C:HIS418
|
3.4
|
9.4
|
1.0
|
CB
|
C:HIS418
|
3.7
|
6.4
|
1.0
|
OE1
|
C:GLU416
|
3.8
|
12.5
|
1.0
|
OE2
|
C:GLU461
|
4.0
|
43.4
|
1.0
|
OD1
|
C:ASN102
|
4.2
|
11.1
|
1.0
|
O
|
C:ASP199
|
4.3
|
4.9
|
1.0
|
CB
|
C:ASP201
|
4.4
|
10.3
|
1.0
|
CG
|
C:GLU461
|
4.4
|
23.6
|
1.0
|
O2
|
C:0MK3002
|
4.4
|
14.9
|
1.0
|
CB
|
C:GLU461
|
4.4
|
12.2
|
1.0
|
N
|
C:ASP201
|
4.4
|
9.3
|
1.0
|
O3
|
C:0MK3002
|
4.5
|
12.1
|
1.0
|
NE2
|
C:HIS418
|
4.5
|
11.1
|
1.0
|
CG
|
C:GLU416
|
4.5
|
8.2
|
1.0
|
CD2
|
C:HIS418
|
4.5
|
9.0
|
1.0
|
ND2
|
C:ASN460
|
4.5
|
11.8
|
1.0
|
C1
|
C:0MK3002
|
4.7
|
18.2
|
1.0
|
O
|
C:ASN102
|
4.8
|
8.9
|
1.0
|
O1
|
C:0MK3002
|
4.8
|
16.9
|
1.0
|
CA
|
C:ASP201
|
5.0
|
9.7
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 6tsk
Go back to
Magnesium Binding Sites List in 6tsk
Magnesium binding site 4 out
of 4 in the Beta-Galactosidase in Complex with L-Ribose
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Beta-Galactosidase in Complex with L-Ribose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg3001
b:3.9
occ:1.00
|
OE2
|
D:GLU416
|
2.1
|
11.8
|
1.0
|
O
|
D:HOH3135
|
2.2
|
1.5
|
1.0
|
O
|
D:HOH3208
|
2.3
|
1.1
|
1.0
|
OE1
|
D:GLU461
|
2.4
|
22.0
|
1.0
|
ND1
|
D:HIS418
|
2.4
|
9.3
|
1.0
|
O
|
D:HOH3114
|
2.4
|
0.5
|
1.0
|
CE1
|
D:HIS418
|
3.3
|
10.2
|
1.0
|
CD
|
D:GLU416
|
3.3
|
11.0
|
1.0
|
CD
|
D:GLU461
|
3.3
|
31.7
|
1.0
|
CG
|
D:HIS418
|
3.4
|
9.4
|
1.0
|
CB
|
D:HIS418
|
3.7
|
6.4
|
1.0
|
OE1
|
D:GLU416
|
3.8
|
12.5
|
1.0
|
OE2
|
D:GLU461
|
4.0
|
43.4
|
1.0
|
OD1
|
D:ASN102
|
4.2
|
11.1
|
1.0
|
O
|
D:ASP199
|
4.3
|
4.9
|
1.0
|
CB
|
D:ASP201
|
4.3
|
10.3
|
1.0
|
CG
|
D:GLU461
|
4.4
|
23.6
|
1.0
|
O2
|
D:0MK3002
|
4.4
|
14.9
|
1.0
|
CB
|
D:GLU461
|
4.4
|
12.2
|
1.0
|
N
|
D:ASP201
|
4.4
|
9.3
|
1.0
|
O3
|
D:0MK3002
|
4.5
|
12.1
|
1.0
|
NE2
|
D:HIS418
|
4.5
|
11.1
|
1.0
|
CG
|
D:GLU416
|
4.5
|
8.2
|
1.0
|
CD2
|
D:HIS418
|
4.5
|
9.0
|
1.0
|
ND2
|
D:ASN460
|
4.5
|
11.8
|
1.0
|
C1
|
D:0MK3002
|
4.7
|
18.2
|
1.0
|
O
|
D:ASN102
|
4.8
|
8.9
|
1.0
|
O1
|
D:0MK3002
|
4.8
|
16.9
|
1.0
|
CA
|
D:ASP201
|
5.0
|
9.7
|
1.0
|
|
Reference:
M.Saur,
M.J.Hartshorn,
J.Dong,
J.Reeks,
G.Bunkoczi,
H.Jhoti,
P.A.Williams.
Fragment-Based Drug Discovery Using Cryo-Em Drug Discov Today 2019.
ISSN: ESSN 1878-5832
PubMed: 31877353
DOI: 10.1016/J.DRUDIS.2019.12.006
Page generated: Tue Oct 1 20:31:22 2024
|