Magnesium in PDB 4wfn: Crystal Structure of the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin
Protein crystallography data
The structure of Crystal Structure of the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin, PDB code: 4wfn
was solved by
I.Wekselman,
E.Zimmerman,
H.Rozenberg,
A.Bashan,
A.Yonath,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.99 /
3.54
|
Space group
|
I 2 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
170.092,
411.588,
695.883,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
23.4 /
28.2
|
Magnesium Binding Sites:
Magnesium binding site 1 out
of 70 in 4wfn
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Magnesium Binding Sites List in 4wfn
Magnesium binding site 1 out
of 70 in the Crystal Structure of the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin
 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 the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg301
b:54.6
occ:1.00
|
OP1
|
X:A2577
|
2.3
|
63.6
|
1.0
|
O
|
A:HIS233
|
2.8
|
65.2
|
1.0
|
O
|
A:GLY234
|
3.3
|
52.8
|
1.0
|
C
|
A:HIS233
|
3.4
|
65.6
|
1.0
|
P
|
X:A2577
|
3.6
|
63.8
|
1.0
|
O3'
|
X:G2576
|
3.7
|
55.2
|
1.0
|
O
|
A:PRO232
|
3.9
|
55.7
|
1.0
|
CA
|
A:HIS233
|
3.9
|
67.0
|
1.0
|
CA
|
A:GLY241
|
3.9
|
1.0
|
1.0
|
O
|
A:GLY235
|
4.0
|
80.5
|
1.0
|
C
|
A:GLY234
|
4.2
|
52.0
|
1.0
|
N
|
A:GLY234
|
4.4
|
53.4
|
1.0
|
O
|
A:THR240
|
4.4
|
87.5
|
1.0
|
N
|
A:ALA242
|
4.5
|
67.9
|
1.0
|
OP2
|
X:A2577
|
4.6
|
63.5
|
1.0
|
O5'
|
X:A2577
|
4.6
|
63.2
|
1.0
|
C5'
|
X:A2577
|
4.6
|
63.2
|
1.0
|
C
|
A:GLY235
|
4.8
|
80.1
|
1.0
|
C
|
A:PRO232
|
4.8
|
56.0
|
1.0
|
C
|
A:GLY241
|
4.8
|
0.3
|
1.0
|
N
|
A:GLY241
|
4.8
|
0.3
|
1.0
|
CA
|
A:GLY234
|
4.8
|
52.2
|
1.0
|
N
|
A:HIS233
|
4.9
|
67.5
|
1.0
|
CB
|
A:HIS233
|
4.9
|
67.1
|
1.0
|
C
|
A:THR240
|
4.9
|
88.0
|
1.0
|
|
Magnesium binding site 2 out
of 70 in 4wfn
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Magnesium Binding Sites List in 4wfn
Magnesium binding site 2 out
of 70 in the Crystal Structure of the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin
 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 the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg301
b:34.7
occ:1.00
|
O
|
B:LYS152
|
3.7
|
33.9
|
1.0
|
C5'
|
X:G2621
|
3.8
|
35.8
|
1.0
|
C
|
B:LYS152
|
4.1
|
33.4
|
1.0
|
C4'
|
X:G2621
|
4.2
|
35.0
|
1.0
|
N
|
G:TYR106
|
4.2
|
57.1
|
1.0
|
N
|
B:GLY153
|
4.4
|
33.5
|
1.0
|
CA
|
B:GLY153
|
4.4
|
33.2
|
1.0
|
CB
|
G:TYR106
|
4.4
|
56.4
|
1.0
|
CG
|
B:LYS152
|
4.6
|
34.2
|
1.0
|
CB
|
B:LYS152
|
4.6
|
34.4
|
1.0
|
CD
|
B:LYS152
|
4.7
|
35.0
|
1.0
|
O
|
G:TYR106
|
4.7
|
58.0
|
1.0
|
O2'
|
X:G2620
|
4.8
|
48.1
|
1.0
|
CA
|
G:TYR106
|
4.9
|
57.1
|
1.0
|
|
Magnesium binding site 3 out
of 70 in 4wfn
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Magnesium Binding Sites List in 4wfn
Magnesium binding site 3 out
of 70 in the Crystal Structure of the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin
 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 the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Mg201
b:27.4
occ:1.00
|
CG
|
K:LYS5
|
3.0
|
27.4
|
1.0
|
CB
|
K:LYS5
|
3.0
|
27.2
|
1.0
|
CD2
|
K:HIS3
|
3.1
|
72.6
|
1.0
|
O
|
K:HIS3
|
3.4
|
72.2
|
1.0
|
CG
|
K:HIS3
|
3.6
|
72.4
|
1.0
|
C4'
|
X:A2795
|
3.7
|
41.5
|
1.0
|
NE2
|
K:HIS3
|
3.8
|
72.6
|
1.0
|
O3'
|
X:G2702
|
3.8
|
27.6
|
1.0
|
OP1
|
X:C2703
|
3.8
|
27.8
|
1.0
|
CB
|
K:HIS3
|
4.1
|
72.3
|
1.0
|
CD
|
K:LYS5
|
4.1
|
27.4
|
1.0
|
O3'
|
X:A2795
|
4.2
|
41.6
|
1.0
|
O4'
|
X:A2795
|
4.2
|
41.6
|
1.0
|
CA
|
K:LYS5
|
4.4
|
27.0
|
1.0
|
ND1
|
K:HIS3
|
4.4
|
72.3
|
1.0
|
O5'
|
X:A2795
|
4.4
|
41.3
|
1.0
|
C
|
K:HIS3
|
4.4
|
72.1
|
1.0
|
O2'
|
X:A2795
|
4.4
|
41.8
|
1.0
|
CE1
|
K:HIS3
|
4.5
|
72.4
|
1.0
|
P
|
X:C2703
|
4.5
|
27.8
|
1.0
|
C3'
|
X:A2795
|
4.5
|
41.7
|
1.0
|
C5'
|
X:A2795
|
4.5
|
41.4
|
1.0
|
O2'
|
X:G2702
|
4.6
|
27.3
|
1.0
|
N
|
K:LYS5
|
4.7
|
26.9
|
1.0
|
C1'
|
X:A2795
|
4.8
|
41.8
|
1.0
|
C2'
|
X:A2795
|
4.9
|
41.8
|
1.0
|
CA
|
K:HIS3
|
4.9
|
72.2
|
1.0
|
C
|
K:GLY4
|
5.0
|
31.6
|
1.0
|
C5'
|
X:C2703
|
5.0
|
27.5
|
1.0
|
C3'
|
X:G2702
|
5.0
|
27.6
|
1.0
|
|
Magnesium binding site 4 out
of 70 in 4wfn
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Magnesium Binding Sites List in 4wfn
Magnesium binding site 4 out
of 70 in the Crystal Structure of the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin
 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 the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Mg202
b:27.0
occ:1.00
|
O
|
K:GLY4
|
3.1
|
31.7
|
1.0
|
O6
|
X:G2797
|
3.8
|
31.8
|
1.0
|
OP1
|
X:A2795
|
3.8
|
41.1
|
1.0
|
CA
|
K:LYS5
|
3.9
|
27.0
|
1.0
|
C
|
K:GLY4
|
4.0
|
31.6
|
1.0
|
N
|
K:ALA6
|
4.2
|
27.1
|
1.0
|
N
|
K:LYS5
|
4.4
|
26.9
|
1.0
|
C
|
K:LYS5
|
4.5
|
27.0
|
1.0
|
O
|
K:ALA6
|
4.6
|
27.2
|
1.0
|
OP2
|
X:A2795
|
4.6
|
41.2
|
1.0
|
OP1
|
X:G1670
|
4.6
|
34.2
|
1.0
|
N1
|
X:G2797
|
4.6
|
31.8
|
1.0
|
C6
|
X:G2797
|
4.6
|
31.8
|
1.0
|
P
|
X:A2795
|
4.7
|
41.3
|
1.0
|
CB
|
K:LYS5
|
4.9
|
27.2
|
1.0
|
|
Magnesium binding site 5 out
of 70 in 4wfn
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Magnesium Binding Sites List in 4wfn
Magnesium binding site 5 out
of 70 in the Crystal Structure of the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin
 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 the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Mg201
b:35.7
occ:1.00
|
MG
|
M:MG202
|
0.1
|
35.4
|
1.0
|
ND2
|
M:ASN58
|
2.9
|
43.9
|
1.0
|
OP1
|
X:G2699
|
4.0
|
31.1
|
1.0
|
CG
|
M:ASN58
|
4.0
|
44.0
|
1.0
|
OP1
|
X:U2700
|
4.3
|
30.1
|
1.0
|
OP2
|
X:G2665
|
4.6
|
29.7
|
1.0
|
OD1
|
M:ASN58
|
4.7
|
43.9
|
1.0
|
OP2
|
X:G2664
|
4.8
|
31.4
|
1.0
|
CB
|
M:ASN58
|
4.9
|
44.3
|
1.0
|
O5'
|
X:G2699
|
4.9
|
30.5
|
1.0
|
|
Magnesium binding site 6 out
of 70 in 4wfn
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Magnesium Binding Sites List in 4wfn
Magnesium binding site 6 out
of 70 in the Crystal Structure of the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin
 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 the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Mg202
b:35.4
occ:1.00
|
MG
|
M:MG201
|
0.1
|
35.7
|
1.0
|
ND2
|
M:ASN58
|
2.9
|
43.9
|
1.0
|
CG
|
M:ASN58
|
4.0
|
44.0
|
1.0
|
OP1
|
X:G2699
|
4.1
|
31.1
|
1.0
|
OP1
|
X:U2700
|
4.4
|
30.1
|
1.0
|
OP2
|
X:G2665
|
4.6
|
29.7
|
1.0
|
OD1
|
M:ASN58
|
4.7
|
43.9
|
1.0
|
OP2
|
X:G2664
|
4.8
|
31.4
|
1.0
|
CB
|
M:ASN58
|
4.9
|
44.3
|
1.0
|
|
Magnesium binding site 7 out
of 70 in 4wfn
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Magnesium Binding Sites List in 4wfn
Magnesium binding site 7 out
of 70 in the Crystal Structure of the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin
 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 the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
X:Mg2901
b:69.4
occ:1.00
|
OP2
|
X:A1167
|
1.8
|
70.5
|
1.0
|
NH1
|
N:ARG58
|
2.4
|
98.4
|
1.0
|
NH2
|
N:ARG58
|
3.1
|
0.7
|
1.0
|
CZ
|
N:ARG58
|
3.1
|
99.6
|
1.0
|
P
|
X:A1167
|
3.3
|
69.3
|
1.0
|
C3'
|
X:A1166
|
4.0
|
66.8
|
1.0
|
O3'
|
X:A1166
|
4.1
|
66.0
|
1.0
|
O5'
|
X:A1166
|
4.1
|
67.0
|
1.0
|
OP1
|
X:A1167
|
4.1
|
68.2
|
1.0
|
O5'
|
X:A1167
|
4.2
|
69.9
|
1.0
|
OP2
|
X:A1166
|
4.3
|
68.7
|
1.0
|
NE
|
N:ARG58
|
4.4
|
99.7
|
1.0
|
C5'
|
X:A1167
|
4.5
|
70.7
|
1.0
|
P
|
X:A1166
|
4.8
|
67.2
|
1.0
|
N4
|
X:C1009
|
4.9
|
85.8
|
1.0
|
O6
|
X:G1008
|
5.0
|
74.7
|
1.0
|
C5'
|
X:A1166
|
5.0
|
65.7
|
1.0
|
|
Magnesium binding site 8 out
of 70 in 4wfn
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Magnesium Binding Sites List in 4wfn
Magnesium binding site 8 out
of 70 in the Crystal Structure of the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin
 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 the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
X:Mg2903
b:30.8
occ:1.00
|
OP2
|
X:A1681
|
2.3
|
30.1
|
1.0
|
N6
|
X:A1682
|
3.1
|
30.7
|
1.0
|
P
|
X:A1681
|
3.8
|
30.2
|
1.0
|
O6
|
X:G1975
|
3.9
|
29.4
|
1.0
|
N7
|
X:G1975
|
3.9
|
29.3
|
1.0
|
N7
|
X:A1681
|
3.9
|
30.0
|
1.0
|
O6
|
X:G1683
|
4.1
|
30.9
|
1.0
|
OP1
|
X:G1975
|
4.2
|
29.7
|
1.0
|
O6
|
X:G1684
|
4.2
|
31.1
|
1.0
|
C6
|
X:A1682
|
4.3
|
31.0
|
1.0
|
C6
|
X:G1975
|
4.4
|
29.4
|
1.0
|
C2'
|
X:U1680
|
4.4
|
29.3
|
1.0
|
C5
|
X:G1975
|
4.4
|
29.3
|
1.0
|
OP2
|
X:G1975
|
4.5
|
30.3
|
1.0
|
C3'
|
X:U1680
|
4.5
|
29.5
|
1.0
|
C8
|
X:A1681
|
4.6
|
30.1
|
1.0
|
O5'
|
X:A1681
|
4.6
|
30.3
|
1.0
|
N7
|
X:A1682
|
4.6
|
31.1
|
1.0
|
O3'
|
X:U1680
|
4.7
|
29.9
|
1.0
|
OP1
|
X:A1681
|
4.7
|
30.6
|
1.0
|
C8
|
X:G1975
|
4.8
|
29.3
|
1.0
|
C6
|
X:G1683
|
4.9
|
31.3
|
1.0
|
C5
|
X:A1682
|
4.9
|
31.2
|
1.0
|
P
|
X:G1975
|
4.9
|
29.9
|
1.0
|
N7
|
X:G1683
|
4.9
|
31.7
|
1.0
|
C5
|
X:A1681
|
4.9
|
30.3
|
1.0
|
|
Magnesium binding site 9 out
of 70 in 4wfn
Go back to
Magnesium Binding Sites List in 4wfn
Magnesium binding site 9 out
of 70 in the Crystal Structure of the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin
 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 the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
X:Mg2904
b:32.6
occ:1.00
|
OP2
|
X:C1340
|
1.9
|
32.1
|
1.0
|
P
|
X:C1340
|
3.2
|
31.9
|
1.0
|
N7
|
X:G1337
|
3.4
|
43.9
|
1.0
|
O5'
|
X:C1340
|
3.8
|
31.9
|
1.0
|
OP1
|
X:C1340
|
4.0
|
32.3
|
1.0
|
C8
|
X:G1337
|
4.1
|
43.5
|
1.0
|
OP2
|
X:U1339
|
4.1
|
31.2
|
1.0
|
OP1
|
X:U1339
|
4.1
|
31.4
|
1.0
|
N7
|
X:G1341
|
4.2
|
34.1
|
1.0
|
C5
|
X:G1337
|
4.4
|
43.9
|
1.0
|
O3'
|
X:U1339
|
4.5
|
31.4
|
1.0
|
O6
|
X:G1337
|
4.6
|
44.6
|
1.0
|
P
|
X:U1339
|
4.6
|
31.1
|
1.0
|
OP2
|
X:G1341
|
4.8
|
35.0
|
1.0
|
C6
|
X:G1337
|
4.8
|
44.3
|
1.0
|
C6
|
X:C1340
|
5.0
|
31.3
|
1.0
|
C8
|
X:G1341
|
5.0
|
34.4
|
1.0
|
|
Magnesium binding site 10 out
of 70 in 4wfn
Go back to
Magnesium Binding Sites List in 4wfn
Magnesium binding site 10 out
of 70 in the Crystal Structure of the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin
 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 the Large Ribosomal Subunit (50S) of Deinococcus Radiodurans Containing A Three Residue Insertion in L22 in Complex with Erythromycin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
X:Mg2905
b:31.4
occ:1.00
|
OP2
|
X:A1682
|
2.0
|
31.4
|
1.0
|
OP1
|
X:A1681
|
2.4
|
30.6
|
1.0
|
P
|
X:A1682
|
3.4
|
31.7
|
1.0
|
OP1
|
X:A1682
|
3.8
|
32.0
|
1.0
|
P
|
X:A1681
|
3.8
|
30.2
|
1.0
|
O5'
|
X:A1682
|
4.4
|
32.1
|
1.0
|
O5'
|
X:A1681
|
4.4
|
30.3
|
1.0
|
O3'
|
X:A1681
|
4.5
|
31.4
|
1.0
|
C5'
|
X:A1681
|
4.5
|
30.4
|
1.0
|
OP2
|
X:A1681
|
4.7
|
30.1
|
1.0
|
OP2
|
X:G1683
|
4.7
|
32.7
|
1.0
|
O3'
|
X:U1680
|
4.8
|
29.9
|
1.0
|
C3'
|
X:A1681
|
4.9
|
31.0
|
1.0
|
|
Reference:
I.Wekselman,
E.Zimmerman,
C.Davidovich,
M.Belousoff,
D.Matzov,
M.Krupkin,
H.Rozenberg,
A.Bashan,
G.Friedlander,
J.Kjeldgaard,
H.Ingmer,
L.Lindahl,
J.M.Zengel,
A.Yonath.
The Ribosomal Protein UL22 Modulates the Shape of the Protein Exit Tunnel. Structure V. 25 1233 2017.
ISSN: ISSN 1878-4186
PubMed: 28689968
DOI: 10.1016/J.STR.2017.06.004
Page generated: Tue Aug 20 13:51:00 2024
|