Magnesium in PDB 7ed2: Transferase From Mycobacterium Tuberculosis
Protein crystallography data
The structure of Transferase From Mycobacterium Tuberculosis, PDB code: 7ed2
was solved by
D.-G.Kim,
B.-J.Lee,
S.J.Lee,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
28.37 /
1.65
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
67.41,
78.603,
81.869,
90,
90,
90
|
R / Rfree (%)
|
18.2 /
21.9
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Transferase From Mycobacterium Tuberculosis
(pdb code 7ed2). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
Transferase From Mycobacterium Tuberculosis, PDB code: 7ed2:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 7ed2
Go back to
Magnesium Binding Sites List in 7ed2
Magnesium binding site 1 out
of 4 in the Transferase From Mycobacterium Tuberculosis
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Transferase From Mycobacterium Tuberculosis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg302
b:23.4
occ:1.00
|
O5P
|
A:A3P301
|
1.9
|
23.6
|
1.0
|
OD1
|
A:ASP109
|
1.9
|
23.9
|
1.0
|
O
|
A:HOH408
|
2.0
|
23.8
|
1.0
|
O
|
A:HOH417
|
2.0
|
26.7
|
1.0
|
O
|
A:HOH410
|
2.1
|
28.7
|
1.0
|
OE1
|
A:GLU151
|
2.2
|
31.5
|
1.0
|
CG
|
A:ASP109
|
3.0
|
23.5
|
1.0
|
P2
|
A:A3P301
|
3.1
|
22.1
|
1.0
|
CD
|
A:GLU151
|
3.3
|
40.5
|
1.0
|
OD2
|
A:ASP109
|
3.4
|
26.3
|
1.0
|
O4P
|
A:A3P301
|
3.4
|
24.6
|
1.0
|
O6P
|
A:A3P301
|
3.9
|
23.4
|
1.0
|
OG1
|
A:THR87
|
3.9
|
19.7
|
1.0
|
OE2
|
A:GLU111
|
4.0
|
34.8
|
1.0
|
OE2
|
A:GLU151
|
4.1
|
50.0
|
1.0
|
NZ
|
A:LYS155
|
4.1
|
22.3
|
1.0
|
CG
|
A:GLU151
|
4.1
|
36.7
|
1.0
|
O
|
A:ALA110
|
4.2
|
23.8
|
1.0
|
CB
|
A:ASP109
|
4.3
|
23.0
|
1.0
|
O5'
|
A:A3P301
|
4.4
|
23.5
|
1.0
|
O
|
A:HOH430
|
4.4
|
21.2
|
1.0
|
CB
|
A:GLU151
|
4.5
|
29.2
|
1.0
|
CE
|
A:LYS155
|
4.6
|
23.5
|
1.0
|
N
|
A:ALA110
|
4.7
|
21.4
|
1.0
|
CA
|
A:ASP109
|
4.7
|
21.3
|
1.0
|
CG
|
A:GLU111
|
4.9
|
31.3
|
1.0
|
CD
|
A:GLU111
|
4.9
|
38.3
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 7ed2
Go back to
Magnesium Binding Sites List in 7ed2
Magnesium binding site 2 out
of 4 in the Transferase From Mycobacterium Tuberculosis
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Transferase From Mycobacterium Tuberculosis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg303
b:23.0
occ:1.00
|
O6P
|
A:A3P301
|
2.0
|
23.4
|
1.0
|
O
|
A:HIS88
|
2.0
|
23.6
|
1.0
|
O
|
A:HOH430
|
2.0
|
21.2
|
1.0
|
O
|
A:HOH451
|
2.1
|
21.7
|
1.0
|
O
|
A:HOH425
|
2.1
|
24.7
|
1.0
|
ND1
|
A:HIS88
|
2.3
|
19.5
|
1.0
|
C
|
A:HIS88
|
3.1
|
20.7
|
1.0
|
CE1
|
A:HIS88
|
3.1
|
18.9
|
1.0
|
P2
|
A:A3P301
|
3.3
|
22.1
|
1.0
|
CG
|
A:HIS88
|
3.4
|
17.9
|
1.0
|
O4P
|
A:A3P301
|
3.5
|
24.6
|
1.0
|
N
|
A:HIS88
|
3.6
|
21.5
|
1.0
|
CA
|
A:HIS88
|
3.6
|
20.3
|
1.0
|
CB
|
A:HIS88
|
3.8
|
20.0
|
1.0
|
O
|
A:HOH404
|
4.1
|
45.5
|
1.0
|
N
|
A:CYS89
|
4.2
|
20.2
|
1.0
|
OE1
|
A:GLU46
|
4.2
|
26.1
|
1.0
|
O
|
A:HOH417
|
4.3
|
26.7
|
1.0
|
O5P
|
A:A3P301
|
4.3
|
23.6
|
1.0
|
O5'
|
A:A3P301
|
4.3
|
23.5
|
1.0
|
NE2
|
A:HIS88
|
4.3
|
20.1
|
1.0
|
O
|
A:HOH459
|
4.4
|
40.0
|
1.0
|
C5'
|
A:A3P301
|
4.4
|
23.1
|
1.0
|
O
|
A:HOH410
|
4.4
|
28.7
|
1.0
|
CD2
|
A:HIS88
|
4.5
|
22.1
|
1.0
|
OE2
|
A:GLU46
|
4.6
|
27.8
|
1.0
|
CD
|
A:GLU46
|
4.6
|
30.5
|
1.0
|
CA
|
A:CYS89
|
4.6
|
22.4
|
1.0
|
C
|
A:THR87
|
4.9
|
18.9
|
1.0
|
O
|
A:HOH423
|
4.9
|
31.8
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 7ed2
Go back to
Magnesium Binding Sites List in 7ed2
Magnesium binding site 3 out
of 4 in the Transferase From Mycobacterium Tuberculosis
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Transferase From Mycobacterium Tuberculosis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg302
b:22.5
occ:1.00
|
O
|
B:HOH408
|
1.9
|
22.7
|
1.0
|
O6P
|
B:A3P301
|
2.0
|
21.1
|
1.0
|
OD1
|
B:ASP109
|
2.0
|
22.8
|
1.0
|
O
|
B:HOH423
|
2.0
|
21.9
|
1.0
|
O
|
B:HOH429
|
2.1
|
25.2
|
1.0
|
OE1
|
B:GLU151
|
2.2
|
32.6
|
1.0
|
CG
|
B:ASP109
|
3.0
|
23.0
|
1.0
|
P2
|
B:A3P301
|
3.1
|
20.2
|
1.0
|
CD
|
B:GLU151
|
3.3
|
39.2
|
1.0
|
OD2
|
B:ASP109
|
3.4
|
23.3
|
1.0
|
O5P
|
B:A3P301
|
3.5
|
24.4
|
1.0
|
O4P
|
B:A3P301
|
3.9
|
19.7
|
1.0
|
OE2
|
B:GLU111
|
3.9
|
34.0
|
1.0
|
OG1
|
B:THR87
|
4.0
|
19.6
|
1.0
|
CG
|
B:GLU151
|
4.0
|
32.4
|
1.0
|
OE2
|
B:GLU151
|
4.1
|
38.6
|
1.0
|
NZ
|
B:LYS155
|
4.2
|
19.4
|
1.0
|
O
|
B:ALA110
|
4.2
|
21.7
|
1.0
|
O
|
B:HOH445
|
4.2
|
21.1
|
1.0
|
CB
|
B:ASP109
|
4.3
|
20.7
|
1.0
|
O5'
|
B:A3P301
|
4.3
|
20.6
|
1.0
|
CB
|
B:GLU151
|
4.4
|
26.2
|
1.0
|
CE
|
B:LYS155
|
4.7
|
18.6
|
1.0
|
N
|
B:ALA110
|
4.8
|
18.4
|
1.0
|
CA
|
B:ASP109
|
4.8
|
18.1
|
1.0
|
CD
|
B:GLU111
|
4.9
|
33.4
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 7ed2
Go back to
Magnesium Binding Sites List in 7ed2
Magnesium binding site 4 out
of 4 in the Transferase From Mycobacterium Tuberculosis
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Transferase From Mycobacterium Tuberculosis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg303
b:20.8
occ:1.00
|
O4P
|
B:A3P301
|
2.0
|
19.7
|
1.0
|
O
|
B:HIS88
|
2.0
|
19.6
|
1.0
|
O
|
B:HOH452
|
2.0
|
24.0
|
1.0
|
O
|
B:HOH428
|
2.2
|
22.3
|
1.0
|
ND1
|
B:HIS88
|
2.2
|
20.6
|
1.0
|
O
|
B:HOH445
|
2.2
|
21.1
|
1.0
|
CE1
|
B:HIS88
|
3.0
|
21.0
|
1.0
|
C
|
B:HIS88
|
3.1
|
18.8
|
1.0
|
P2
|
B:A3P301
|
3.3
|
20.2
|
1.0
|
CG
|
B:HIS88
|
3.3
|
19.3
|
1.0
|
O5P
|
B:A3P301
|
3.5
|
24.4
|
1.0
|
N
|
B:HIS88
|
3.6
|
18.7
|
1.0
|
CA
|
B:HIS88
|
3.6
|
17.9
|
1.0
|
CB
|
B:HIS88
|
3.8
|
19.8
|
1.0
|
NE2
|
B:HIS88
|
4.2
|
19.8
|
1.0
|
N
|
B:CYS89
|
4.2
|
19.0
|
1.0
|
OE2
|
B:GLU46
|
4.3
|
27.3
|
1.0
|
O
|
B:HOH401
|
4.3
|
40.3
|
1.0
|
O5'
|
B:A3P301
|
4.3
|
20.6
|
1.0
|
O6P
|
B:A3P301
|
4.3
|
21.1
|
1.0
|
O
|
B:HOH423
|
4.3
|
21.9
|
1.0
|
CD2
|
B:HIS88
|
4.3
|
21.1
|
1.0
|
C5'
|
B:A3P301
|
4.4
|
20.1
|
1.0
|
O
|
B:HOH429
|
4.4
|
25.2
|
1.0
|
OE1
|
B:GLU46
|
4.5
|
25.4
|
1.0
|
CD
|
B:GLU46
|
4.6
|
25.6
|
1.0
|
O
|
B:HOH476
|
4.6
|
35.6
|
1.0
|
CA
|
B:CYS89
|
4.7
|
20.7
|
1.0
|
C
|
B:THR87
|
4.8
|
18.2
|
1.0
|
|
Reference:
D.-G.Kim,
B.-J.Lee,
S.J.Lee.
Transferase From Mycobacterium Tuberculosis To Be Published.
Page generated: Wed Oct 2 20:34:57 2024
|