Magnesium in PDB 3ow2: Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit
Protein crystallography data
The structure of Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit, PDB code: 3ow2
was solved by
Z.F.Kanyo,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.00 /
2.70
|
Space group
|
C 2 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
211.853,
298.000,
574.985,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
n/a /
n/a
|
Other elements in 3ow2:
The structure of Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit also contains other interesting chemical elements:
Magnesium Binding Sites:
Magnesium binding site 1 out
of 61 in 3ow2
Go back to
Magnesium Binding Sites List in 3ow2
Magnesium binding site 1 out
of 61 in the Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
0:Mg8001
b:27.4
occ:1.00
|
OP2
|
0:C2533
|
2.4
|
32.2
|
1.0
|
OP2
|
0:C2534
|
2.4
|
34.5
|
1.0
|
OP2
|
0:A2483
|
2.5
|
32.7
|
1.0
|
O3'
|
0:G2482
|
3.3
|
30.7
|
1.0
|
P
|
0:A2483
|
3.6
|
29.9
|
1.0
|
O2'
|
0:A2532
|
3.6
|
34.5
|
1.0
|
P
|
0:C2533
|
3.8
|
31.0
|
1.0
|
O2'
|
0:G2482
|
3.8
|
30.7
|
1.0
|
P
|
0:C2534
|
3.9
|
33.9
|
1.0
|
O3'
|
0:A2532
|
4.1
|
30.9
|
1.0
|
OP2
|
0:U2484
|
4.3
|
36.9
|
1.0
|
O5'
|
0:C2533
|
4.5
|
29.7
|
1.0
|
OP1
|
0:C2534
|
4.6
|
36.4
|
1.0
|
C3'
|
0:G2482
|
4.6
|
29.0
|
1.0
|
OP1
|
0:A2483
|
4.6
|
33.0
|
1.0
|
O5'
|
0:A2483
|
4.6
|
29.3
|
1.0
|
C5'
|
0:A2483
|
4.7
|
27.8
|
1.0
|
C2'
|
0:G2482
|
4.7
|
28.9
|
1.0
|
O5'
|
0:C2534
|
4.7
|
31.6
|
1.0
|
C2'
|
0:A2532
|
4.8
|
32.0
|
1.0
|
O3'
|
0:C2533
|
4.8
|
30.9
|
1.0
|
C1'
|
0:G2482
|
4.8
|
30.5
|
1.0
|
OP2
|
0:A2485
|
4.8
|
34.4
|
1.0
|
C3'
|
0:C2533
|
4.9
|
27.8
|
1.0
|
OP1
|
0:C2533
|
5.0
|
30.7
|
1.0
|
C3'
|
0:A2532
|
5.0
|
31.4
|
1.0
|
|
Magnesium binding site 2 out
of 61 in 3ow2
Go back to
Magnesium Binding Sites List in 3ow2
Magnesium binding site 2 out
of 61 in the Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
0:Mg8002
b:57.0
occ:1.00
|
OP1
|
0:G2537
|
3.0
|
31.2
|
1.0
|
OP2
|
0:G2481
|
3.0
|
24.8
|
1.0
|
O5'
|
0:G2481
|
3.8
|
25.6
|
1.0
|
P
|
0:G2481
|
3.8
|
26.9
|
1.0
|
C3'
|
0:C2536
|
3.8
|
27.4
|
1.0
|
OP2
|
0:G2482
|
3.8
|
28.6
|
1.0
|
O5'
|
0:C2536
|
4.0
|
27.9
|
1.0
|
OP1
|
0:C2536
|
4.2
|
27.8
|
1.0
|
P
|
0:G2537
|
4.3
|
27.5
|
1.0
|
OP1
|
0:G2481
|
4.3
|
24.8
|
1.0
|
C8
|
0:G2481
|
4.4
|
27.8
|
1.0
|
C2'
|
0:C2536
|
4.4
|
25.9
|
1.0
|
P
|
0:C2536
|
4.4
|
29.4
|
1.0
|
OP2
|
0:C2536
|
4.5
|
29.5
|
1.0
|
O3'
|
0:C2536
|
4.6
|
29.3
|
1.0
|
N7
|
0:G2481
|
4.6
|
25.7
|
1.0
|
C5'
|
0:C2536
|
4.8
|
26.6
|
1.0
|
C5'
|
0:G2482
|
4.8
|
28.8
|
1.0
|
C4'
|
0:C2536
|
4.8
|
26.7
|
1.0
|
C8
|
0:G2537
|
4.9
|
30.2
|
1.0
|
C3'
|
0:G2481
|
4.9
|
27.1
|
1.0
|
N7
|
0:G2537
|
5.0
|
30.4
|
1.0
|
OP2
|
0:G2537
|
5.0
|
29.1
|
1.0
|
|
Magnesium binding site 3 out
of 61 in 3ow2
Go back to
Magnesium Binding Sites List in 3ow2
Magnesium binding site 3 out
of 61 in the Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
0:Mg8003
b:44.0
occ:1.00
|
OP1
|
0:A2624
|
2.4
|
26.2
|
1.0
|
OP2
|
0:A876
|
2.4
|
26.7
|
1.0
|
OP2
|
0:G877
|
2.5
|
25.7
|
1.0
|
P
|
0:A876
|
3.7
|
24.1
|
1.0
|
P
|
0:G877
|
3.8
|
23.6
|
1.0
|
P
|
0:A2624
|
3.8
|
22.6
|
1.0
|
OD1
|
A:ASN195
|
4.0
|
22.9
|
1.0
|
O
|
A:ALA193
|
4.0
|
23.2
|
1.0
|
O3'
|
0:A875
|
4.1
|
24.0
|
1.0
|
O5'
|
0:A876
|
4.3
|
24.7
|
1.0
|
OP1
|
0:G877
|
4.3
|
31.4
|
1.0
|
O3'
|
0:G2623
|
4.5
|
24.1
|
1.0
|
OP2
|
0:A2624
|
4.6
|
26.6
|
1.0
|
O3'
|
0:A876
|
4.7
|
26.1
|
1.0
|
O5'
|
0:A2624
|
4.8
|
24.5
|
1.0
|
C5'
|
0:A876
|
4.8
|
26.5
|
1.0
|
CG
|
A:ASN195
|
4.9
|
19.1
|
1.0
|
O5'
|
0:G877
|
4.9
|
22.9
|
1.0
|
C
|
A:ALA193
|
4.9
|
23.9
|
1.0
|
C5'
|
0:A2624
|
4.9
|
25.9
|
1.0
|
OP1
|
0:A876
|
5.0
|
25.1
|
1.0
|
|
Magnesium binding site 4 out
of 61 in 3ow2
Go back to
Magnesium Binding Sites List in 3ow2
Magnesium binding site 4 out
of 61 in the Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
0:Mg8004
b:38.5
occ:1.00
|
OP1
|
0:A459
|
2.4
|
32.4
|
1.0
|
O6
|
0:G456
|
2.4
|
35.9
|
1.0
|
C6
|
0:G456
|
3.5
|
32.4
|
1.0
|
P
|
0:A459
|
3.8
|
26.7
|
1.0
|
OP2
|
0:A455
|
4.0
|
30.6
|
1.0
|
N7
|
0:G456
|
4.1
|
31.7
|
1.0
|
C5
|
0:G456
|
4.1
|
32.0
|
1.0
|
N7
|
0:A455
|
4.2
|
26.6
|
1.0
|
CE
|
C:LYS85
|
4.2
|
25.3
|
1.0
|
OP2
|
0:A459
|
4.4
|
28.5
|
1.0
|
CD
|
C:LYS85
|
4.4
|
24.7
|
1.0
|
C5'
|
0:U454
|
4.4
|
27.9
|
1.0
|
OP1
|
0:A477
|
4.6
|
31.6
|
1.0
|
O5'
|
0:A459
|
4.6
|
27.1
|
1.0
|
NZ
|
C:LYS85
|
4.6
|
27.3
|
1.0
|
N1
|
0:G456
|
4.6
|
32.4
|
1.0
|
C4'
|
0:U454
|
4.8
|
29.2
|
1.0
|
OP1
|
0:A460
|
4.8
|
33.8
|
1.0
|
C5'
|
0:A459
|
4.8
|
28.1
|
1.0
|
O3'
|
0:G458
|
4.8
|
28.8
|
1.0
|
C8
|
0:A455
|
4.8
|
27.1
|
1.0
|
|
Magnesium binding site 5 out
of 61 in 3ow2
Go back to
Magnesium Binding Sites List in 3ow2
Magnesium binding site 5 out
of 61 in the Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
0:Mg8005
b:32.2
occ:1.00
|
OP1
|
0:A1836
|
2.2
|
24.1
|
1.0
|
OP2
|
0:A1839
|
2.3
|
24.7
|
1.0
|
OP1
|
0:U1838
|
2.3
|
23.3
|
1.0
|
P
|
0:A1836
|
3.5
|
19.0
|
1.0
|
P
|
0:A1839
|
3.7
|
19.8
|
1.0
|
P
|
0:U1838
|
3.8
|
21.9
|
1.0
|
OP2
|
0:G1837
|
3.9
|
24.4
|
1.0
|
O5'
|
0:A1836
|
3.9
|
24.4
|
1.0
|
C3'
|
0:G1837
|
4.2
|
24.6
|
1.0
|
OP1
|
0:A1839
|
4.3
|
27.2
|
1.0
|
OP2
|
0:A1836
|
4.4
|
21.9
|
1.0
|
O5'
|
0:U1838
|
4.5
|
20.1
|
1.0
|
O3'
|
0:G1837
|
4.5
|
22.5
|
1.0
|
O3'
|
0:U1838
|
4.5
|
22.9
|
1.0
|
C5'
|
0:U1838
|
4.6
|
19.9
|
1.0
|
O3'
|
0:U1835
|
4.6
|
21.8
|
1.0
|
O5'
|
0:A1839
|
4.6
|
20.5
|
1.0
|
C2'
|
0:U1835
|
4.6
|
23.1
|
1.0
|
C3'
|
0:U1835
|
4.6
|
22.1
|
1.0
|
C3'
|
0:U1838
|
4.8
|
21.8
|
1.0
|
OP2
|
0:U1838
|
4.8
|
20.2
|
1.0
|
|
Magnesium binding site 6 out
of 61 in 3ow2
Go back to
Magnesium Binding Sites List in 3ow2
Magnesium binding site 6 out
of 61 in the Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
0:Mg8006
b:26.4
occ:1.00
|
OP1
|
0:U919
|
2.2
|
32.7
|
1.0
|
OP1
|
0:C2464
|
2.3
|
29.5
|
1.0
|
OP1
|
0:A2465
|
2.5
|
33.3
|
1.0
|
P
|
0:U919
|
3.1
|
30.7
|
1.0
|
OP2
|
0:U919
|
3.3
|
32.8
|
1.0
|
P
|
0:C2464
|
3.7
|
26.0
|
1.0
|
P
|
0:A2465
|
3.8
|
32.2
|
1.0
|
O5'
|
0:U919
|
3.8
|
29.0
|
1.0
|
O5'
|
0:C2464
|
4.3
|
27.5
|
1.0
|
O5'
|
0:A2465
|
4.3
|
31.9
|
1.0
|
OP2
|
0:A2465
|
4.4
|
33.3
|
1.0
|
OP2
|
0:C2464
|
4.4
|
27.2
|
1.0
|
OP1
|
0:G2466
|
4.4
|
29.9
|
1.0
|
C5'
|
0:C2464
|
4.4
|
27.7
|
1.0
|
C5'
|
0:U919
|
4.4
|
27.6
|
1.0
|
O3'
|
0:G918
|
4.5
|
28.9
|
1.0
|
O3'
|
0:A2463
|
4.7
|
27.6
|
1.0
|
C3'
|
0:A2465
|
4.7
|
29.8
|
1.0
|
C2'
|
0:A2465
|
5.0
|
30.2
|
1.0
|
O3'
|
0:C2464
|
5.0
|
31.5
|
1.0
|
|
Magnesium binding site 7 out
of 61 in 3ow2
Go back to
Magnesium Binding Sites List in 3ow2
Magnesium binding site 7 out
of 61 in the Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
0:Mg8007
b:28.3
occ:1.00
|
OP1
|
0:A2612
|
2.4
|
29.5
|
1.0
|
OP1
|
0:G2611
|
2.4
|
33.7
|
1.0
|
O3'
|
0:U2610
|
3.5
|
31.0
|
1.0
|
P
|
0:G2611
|
3.6
|
32.9
|
1.0
|
P
|
0:A2612
|
3.8
|
25.5
|
1.0
|
OP1
|
0:G2094
|
3.9
|
25.8
|
1.0
|
OP2
|
0:G2094
|
4.0
|
26.4
|
1.0
|
C5'
|
0:G2611
|
4.4
|
28.3
|
1.0
|
OP2
|
0:G2093
|
4.4
|
24.7
|
1.0
|
P
|
0:G2094
|
4.4
|
24.4
|
1.0
|
O3'
|
0:G2611
|
4.4
|
26.7
|
1.0
|
O5'
|
0:G2611
|
4.5
|
31.0
|
1.0
|
OP2
|
0:A2612
|
4.5
|
29.0
|
1.0
|
C3'
|
0:G2611
|
4.6
|
24.4
|
1.0
|
C3'
|
0:U2610
|
4.6
|
28.1
|
1.0
|
C4'
|
0:U2610
|
4.6
|
27.2
|
1.0
|
OP2
|
0:G2611
|
4.7
|
32.1
|
1.0
|
O5'
|
0:A2612
|
4.9
|
29.8
|
1.0
|
C5'
|
0:U2610
|
4.9
|
26.0
|
1.0
|
|
Magnesium binding site 8 out
of 61 in 3ow2
Go back to
Magnesium Binding Sites List in 3ow2
Magnesium binding site 8 out
of 61 in the Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
0:Mg8008
b:35.9
occ:1.00
|
OP1
|
0:G28
|
2.4
|
33.3
|
1.0
|
OP2
|
0:G1344
|
3.7
|
34.0
|
1.0
|
OP1
|
0:U1304
|
3.7
|
32.2
|
1.0
|
P
|
0:G28
|
3.8
|
28.9
|
1.0
|
OP1
|
0:C1343
|
4.1
|
32.3
|
1.0
|
OP2
|
0:C1305
|
4.1
|
33.8
|
1.0
|
OP2
|
0:G28
|
4.4
|
31.8
|
1.0
|
O3'
|
0:U27
|
4.4
|
27.2
|
1.0
|
OP1
|
0:C1305
|
4.4
|
32.0
|
1.0
|
P
|
0:G1344
|
4.8
|
32.9
|
1.0
|
P
|
0:C1305
|
4.8
|
31.3
|
1.0
|
CA
|
C:GLY177
|
4.8
|
34.4
|
1.0
|
O5'
|
0:G28
|
4.9
|
30.0
|
1.0
|
C5'
|
0:U1304
|
5.0
|
26.7
|
1.0
|
|
Magnesium binding site 9 out
of 61 in 3ow2
Go back to
Magnesium Binding Sites List in 3ow2
Magnesium binding site 9 out
of 61 in the Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
0:Mg8009
b:35.4
occ:1.00
|
OP1
|
0:G877
|
2.4
|
31.4
|
1.0
|
OP1
|
0:G2623
|
2.4
|
28.0
|
1.0
|
OP2
|
0:A2624
|
3.5
|
26.6
|
1.0
|
P
|
0:G877
|
3.7
|
23.6
|
1.0
|
P
|
0:G2623
|
3.8
|
22.1
|
1.0
|
OP2
|
0:G877
|
4.3
|
25.7
|
1.0
|
OD1
|
A:ASN195
|
4.3
|
22.9
|
1.0
|
P
|
0:A2624
|
4.4
|
22.6
|
1.0
|
OP2
|
0:C2475
|
4.5
|
33.3
|
1.0
|
O5'
|
0:G877
|
4.5
|
22.9
|
1.0
|
O6
|
0:G885
|
4.5
|
22.6
|
1.0
|
O5'
|
0:G2623
|
4.5
|
24.2
|
1.0
|
OP1
|
0:A2624
|
4.5
|
26.2
|
1.0
|
OP2
|
0:G2623
|
4.6
|
27.9
|
1.0
|
C5'
|
0:G877
|
4.7
|
22.7
|
1.0
|
C5'
|
0:G2623
|
4.7
|
24.3
|
1.0
|
O3'
|
0:G2623
|
4.7
|
24.1
|
1.0
|
O3'
|
0:A876
|
4.8
|
26.1
|
1.0
|
O3'
|
0:A2622
|
4.8
|
24.1
|
1.0
|
|
Magnesium binding site 10 out
of 61 in 3ow2
Go back to
Magnesium Binding Sites List in 3ow2
Magnesium binding site 10 out
of 61 in the Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Crystal Structure of Enhanced Macrolide Bound to 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
0:Mg8010
b:42.1
occ:1.00
|
OP1
|
0:A844
|
2.3
|
28.7
|
1.0
|
OP1
|
0:A1689
|
2.4
|
27.1
|
1.0
|
P
|
0:A1689
|
3.2
|
25.3
|
1.0
|
OP2
|
0:A1689
|
3.3
|
26.1
|
1.0
|
N7
|
0:A844
|
3.5
|
29.6
|
1.0
|
N1
|
0:A882
|
3.6
|
40.7
|
1.0
|
N6
|
0:A882
|
3.7
|
45.0
|
1.0
|
P
|
0:A844
|
3.7
|
26.9
|
1.0
|
C8
|
0:A844
|
3.9
|
28.0
|
1.0
|
O3'
|
0:G1688
|
4.0
|
24.5
|
1.0
|
N7
|
0:A1689
|
4.0
|
23.2
|
1.0
|
O2'
|
0:G1688
|
4.1
|
27.8
|
1.0
|
C6
|
0:A882
|
4.1
|
41.9
|
1.0
|
O5'
|
0:A844
|
4.2
|
25.3
|
1.0
|
C8
|
0:A1689
|
4.3
|
21.4
|
1.0
|
CA
|
Q:GLY131
|
4.4
|
32.0
|
1.0
|
O3'
|
0:A843
|
4.5
|
28.5
|
1.0
|
C2'
|
0:G1688
|
4.5
|
25.2
|
1.0
|
O5'
|
0:A1689
|
4.6
|
25.1
|
1.0
|
C2
|
0:A882
|
4.7
|
40.9
|
1.0
|
OG1
|
Z:THR5
|
4.7
|
23.2
|
1.0
|
C5
|
0:A844
|
4.7
|
31.1
|
1.0
|
N
|
Q:GLY131
|
4.8
|
31.5
|
1.0
|
OP2
|
0:A844
|
4.8
|
27.0
|
1.0
|
C3'
|
0:G1688
|
4.9
|
23.9
|
1.0
|
|
Reference:
Z.F.Kanyo,
N/A.
N/A N/A.
Page generated: Thu Aug 15 08:30:55 2024
|