Sodium in PDB 3cc4: Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit
Protein crystallography data
The structure of Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit, PDB code: 3cc4
was solved by
G.Blaha,
G.Gurel,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.85 /
2.70
|
Space group
|
C 2 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
211.780,
299.084,
573.837,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.2 /
24.4
|
Other elements in 3cc4:
The structure of Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit also contains other interesting chemical elements:
Sodium Binding Sites:
Sodium binding site 1 out
of 75 in 3cc4
Go back to
Sodium Binding Sites List in 3cc4
Sodium binding site 1 out
of 75 in the Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na8552
b:56.8
occ:1.00
|
O
|
0:HOH4963
|
3.0
|
55.0
|
1.0
|
O
|
B:GLN230
|
3.1
|
34.6
|
1.0
|
O
|
0:HOH7421
|
3.2
|
67.6
|
1.0
|
O
|
0:HOH6902
|
3.2
|
46.3
|
1.0
|
O
|
0:HOH4647
|
3.2
|
46.4
|
1.0
|
O
|
0:HOH5158
|
3.3
|
40.5
|
1.0
|
O
|
B:HOH8994
|
3.4
|
78.6
|
1.0
|
OP1
|
0:U837
|
3.7
|
30.5
|
1.0
|
CZ3
|
B:TRP232
|
3.8
|
34.2
|
1.0
|
CH2
|
B:TRP232
|
4.0
|
34.8
|
1.0
|
CA
|
B:GLY231
|
4.1
|
35.2
|
1.0
|
OP2
|
0:U837
|
4.2
|
31.7
|
1.0
|
C
|
B:GLN230
|
4.2
|
34.1
|
1.0
|
P
|
0:U837
|
4.4
|
29.4
|
1.0
|
CE3
|
B:TRP232
|
4.6
|
34.5
|
1.0
|
OP2
|
0:C838
|
4.7
|
24.6
|
1.0
|
N
|
B:GLY231
|
4.7
|
35.2
|
1.0
|
N4
|
0:C839
|
4.8
|
22.6
|
1.0
|
O
|
0:HOH4516
|
4.8
|
47.9
|
1.0
|
CZ2
|
B:TRP232
|
4.9
|
34.1
|
1.0
|
O
|
0:HOH9576
|
4.9
|
37.4
|
1.0
|
|
Sodium binding site 2 out
of 75 in 3cc4
Go back to
Sodium Binding Sites List in 3cc4
Sodium binding site 2 out
of 75 in the Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na8503
b:37.9
occ:1.00
|
OD1
|
C:ASP45
|
2.9
|
41.0
|
1.0
|
O
|
C:LYS96
|
2.9
|
40.5
|
1.0
|
O
|
C:THR94
|
3.1
|
36.2
|
1.0
|
OD2
|
C:ASP45
|
3.3
|
39.9
|
1.0
|
O
|
C:HOH8507
|
3.3
|
36.1
|
1.0
|
CG
|
C:ASP45
|
3.3
|
38.7
|
1.0
|
C
|
C:LYS96
|
3.6
|
38.9
|
1.0
|
O
|
C:GLU95
|
3.7
|
39.1
|
1.0
|
C
|
C:GLU95
|
3.8
|
39.3
|
1.0
|
N
|
C:LYS96
|
4.1
|
39.0
|
1.0
|
C
|
C:THR94
|
4.2
|
35.9
|
1.0
|
N
|
C:ASP97
|
4.2
|
37.0
|
1.0
|
CA
|
C:GLU95
|
4.3
|
39.8
|
1.0
|
CA
|
C:ASP97
|
4.3
|
33.6
|
1.0
|
O
|
C:HOH8620
|
4.4
|
47.6
|
1.0
|
CA
|
C:LYS96
|
4.5
|
39.1
|
1.0
|
CB
|
C:ASP45
|
4.5
|
35.7
|
1.0
|
O
|
C:HOH8588
|
4.6
|
45.0
|
1.0
|
N
|
C:GLU95
|
4.7
|
38.0
|
1.0
|
|
Sodium binding site 3 out
of 75 in 3cc4
Go back to
Sodium Binding Sites List in 3cc4
Sodium binding site 3 out
of 75 in the Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Na8538
b:56.3
occ:1.00
|
O
|
J:TYR69
|
2.6
|
57.5
|
1.0
|
O
|
J:ILE63
|
2.9
|
47.5
|
1.0
|
O
|
J:VAL61
|
2.9
|
46.4
|
1.0
|
O
|
0:HOH9512
|
2.9
|
51.8
|
1.0
|
O
|
J:ARG60
|
2.9
|
40.9
|
1.0
|
O
|
0:HOH5825
|
3.0
|
43.1
|
1.0
|
C
|
J:VAL61
|
3.5
|
45.0
|
1.0
|
CA
|
J:VAL61
|
3.6
|
43.0
|
1.0
|
OP1
|
0:A2677
|
3.7
|
58.9
|
1.0
|
C
|
J:TYR69
|
3.8
|
56.7
|
1.0
|
N
|
J:TYR71
|
3.9
|
54.8
|
1.0
|
C
|
J:ARG60
|
3.9
|
40.3
|
1.0
|
CB
|
J:TYR71
|
4.0
|
50.7
|
1.0
|
C
|
J:ILE63
|
4.0
|
46.6
|
1.0
|
CD2
|
J:TYR69
|
4.1
|
53.1
|
1.0
|
N
|
J:VAL61
|
4.3
|
41.0
|
1.0
|
CB
|
J:TYR69
|
4.3
|
52.8
|
1.0
|
N
|
J:ILE63
|
4.4
|
47.7
|
1.0
|
CA
|
J:TYR71
|
4.5
|
52.3
|
1.0
|
N
|
J:ASP62
|
4.5
|
46.7
|
1.0
|
CA
|
J:TYR69
|
4.7
|
54.8
|
1.0
|
C
|
J:PHE70
|
4.7
|
57.5
|
1.0
|
CG
|
J:TYR69
|
4.7
|
52.5
|
1.0
|
CA
|
J:ILE63
|
4.8
|
47.1
|
1.0
|
N
|
J:PHE70
|
4.8
|
58.9
|
1.0
|
CA
|
J:PHE70
|
4.8
|
59.9
|
1.0
|
CL
|
J:CL8821
|
4.9
|
56.6
|
1.0
|
CB
|
J:VAL61
|
4.9
|
42.8
|
1.0
|
C
|
J:ASP62
|
4.9
|
48.3
|
1.0
|
|
Sodium binding site 4 out
of 75 in 3cc4
Go back to
Sodium Binding Sites List in 3cc4
Sodium binding site 4 out
of 75 in the Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Na8539
b:41.9
occ:1.00
|
O
|
M:LEU112
|
2.8
|
35.8
|
1.0
|
OG
|
M:SER106
|
2.8
|
36.8
|
1.0
|
O
|
M:SER106
|
2.9
|
38.6
|
1.0
|
O
|
M:HOH8924
|
3.0
|
55.2
|
1.0
|
O
|
M:PHE109
|
3.2
|
37.6
|
1.0
|
O
|
M:PRO110
|
3.4
|
41.6
|
1.0
|
C
|
M:PRO110
|
3.7
|
38.5
|
1.0
|
CA
|
M:PRO110
|
3.8
|
37.4
|
1.0
|
C
|
M:SER106
|
3.8
|
38.3
|
1.0
|
CB
|
M:SER106
|
3.9
|
36.4
|
1.0
|
C
|
M:LEU112
|
4.0
|
33.8
|
1.0
|
C
|
M:PHE109
|
4.1
|
37.5
|
1.0
|
CA
|
M:SER106
|
4.1
|
36.7
|
1.0
|
CL
|
M:CL8818
|
4.3
|
37.1
|
1.0
|
N
|
M:PRO110
|
4.3
|
37.4
|
1.0
|
OD1
|
M:ASP157
|
4.4
|
39.9
|
1.0
|
N
|
M:LEU112
|
4.5
|
33.5
|
1.0
|
CE1
|
M:PHE160
|
4.5
|
33.2
|
1.0
|
N
|
M:ASN111
|
4.5
|
38.1
|
1.0
|
CA
|
M:LEU112
|
4.8
|
32.4
|
1.0
|
N
|
M:ARG113
|
4.9
|
33.8
|
1.0
|
C
|
M:ASN111
|
4.9
|
35.7
|
1.0
|
N
|
M:ARG107
|
4.9
|
39.2
|
1.0
|
CA
|
M:ARG113
|
5.0
|
32.0
|
1.0
|
|
Sodium binding site 5 out
of 75 in 3cc4
Go back to
Sodium Binding Sites List in 3cc4
Sodium binding site 5 out
of 75 in the Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 5 of Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Q:Na8540
b:60.2
occ:1.00
|
O
|
Q:ASP20
|
2.8
|
60.1
|
1.0
|
O
|
Q:GLY22
|
2.9
|
51.5
|
1.0
|
O
|
Q:HOH1795
|
2.9
|
40.2
|
1.0
|
OG
|
Q:SER46
|
2.9
|
41.4
|
1.0
|
OG
|
Q:SER24
|
3.0
|
48.6
|
1.0
|
O
|
Q:HOH5427
|
3.6
|
54.1
|
1.0
|
CB
|
Q:SER46
|
3.7
|
42.2
|
1.0
|
CA
|
Q:SER24
|
3.8
|
49.3
|
1.0
|
O
|
Q:HOH7505
|
3.8
|
64.8
|
1.0
|
N
|
Q:SER24
|
3.9
|
50.5
|
1.0
|
C
|
Q:ASP20
|
3.9
|
61.1
|
1.0
|
CB
|
Q:SER24
|
3.9
|
49.1
|
1.0
|
O
|
Q:THR23
|
4.0
|
52.0
|
1.0
|
C
|
Q:THR23
|
4.0
|
51.3
|
1.0
|
C
|
Q:GLY22
|
4.0
|
51.8
|
1.0
|
O
|
Q:ARG21
|
4.0
|
56.9
|
1.0
|
OD1
|
Q:ASN16
|
4.1
|
46.9
|
1.0
|
C
|
Q:ARG21
|
4.3
|
55.7
|
1.0
|
OD1
|
Q:ASP44
|
4.3
|
48.9
|
1.0
|
NH2
|
Q:ARG28
|
4.5
|
47.5
|
1.0
|
N
|
Q:GLY22
|
4.7
|
53.9
|
1.0
|
N
|
Q:ARG21
|
4.8
|
59.3
|
1.0
|
CA
|
Q:ASP20
|
4.8
|
63.4
|
1.0
|
N
|
Q:THR23
|
4.8
|
51.1
|
1.0
|
CA
|
Q:THR23
|
4.8
|
51.5
|
1.0
|
O
|
0:HOH7010
|
4.9
|
52.5
|
1.0
|
CA
|
Q:GLY22
|
4.9
|
52.7
|
1.0
|
CA
|
Q:ARG21
|
4.9
|
56.8
|
1.0
|
OD2
|
Q:ASP44
|
4.9
|
51.7
|
1.0
|
CG
|
Q:ASN16
|
4.9
|
48.7
|
1.0
|
|
Sodium binding site 6 out
of 75 in 3cc4
Go back to
Sodium Binding Sites List in 3cc4
Sodium binding site 6 out
of 75 in the Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 6 of Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Na8532
b:53.1
occ:1.00
|
O
|
R:SER70
|
2.9
|
42.2
|
1.0
|
O
|
0:HOH3790
|
2.9
|
50.1
|
1.0
|
O
|
0:HOH5987
|
3.0
|
65.8
|
1.0
|
NA
|
0:NA8533
|
3.1
|
63.2
|
1.0
|
O
|
R:VAL72
|
3.2
|
48.0
|
1.0
|
O
|
0:HOH7070
|
3.5
|
33.5
|
1.0
|
C
|
R:VAL72
|
3.7
|
47.8
|
1.0
|
CA
|
R:ASP73
|
3.9
|
49.8
|
1.0
|
N
|
R:ASP73
|
4.0
|
49.1
|
1.0
|
OD1
|
R:ASP73
|
4.0
|
58.0
|
1.0
|
O
|
0:HOH3802
|
4.0
|
65.5
|
1.0
|
C
|
R:SER70
|
4.1
|
42.0
|
1.0
|
O
|
0:HOH3116
|
4.1
|
66.0
|
1.0
|
OP1
|
0:G2660
|
4.1
|
38.8
|
1.0
|
C
|
R:LYS71
|
4.2
|
46.1
|
1.0
|
N
|
R:VAL72
|
4.2
|
45.9
|
1.0
|
CB
|
R:ASP73
|
4.3
|
52.5
|
1.0
|
O
|
R:LYS71
|
4.4
|
47.7
|
1.0
|
CA
|
R:LYS71
|
4.5
|
45.2
|
1.0
|
CG
|
R:ASP73
|
4.6
|
56.6
|
1.0
|
CA
|
R:VAL72
|
4.6
|
47.1
|
1.0
|
N
|
R:LYS71
|
4.8
|
42.6
|
1.0
|
|
Sodium binding site 7 out
of 75 in 3cc4
Go back to
Sodium Binding Sites List in 3cc4
Sodium binding site 7 out
of 75 in the Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 7 of Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Na8510
b:80.0
occ:1.00
|
OE2
|
S:GLU61
|
3.0
|
65.7
|
1.0
|
NE2
|
S:HIS7
|
3.1
|
55.8
|
1.0
|
O
|
S:HOH2519
|
3.3
|
48.8
|
1.0
|
OE1
|
S:GLU61
|
3.5
|
65.4
|
1.0
|
CD
|
S:GLU61
|
3.6
|
63.4
|
1.0
|
CE1
|
S:HIS7
|
3.8
|
55.7
|
1.0
|
CD2
|
S:HIS7
|
4.2
|
56.7
|
1.0
|
ND1
|
S:HIS7
|
4.9
|
56.6
|
1.0
|
|
Sodium binding site 8 out
of 75 in 3cc4
Go back to
Sodium Binding Sites List in 3cc4
Sodium binding site 8 out
of 75 in the Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 8 of Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
0:Na8501
b:39.2
occ:1.00
|
OP2
|
0:C1069
|
2.7
|
22.7
|
1.0
|
N7
|
0:G1072
|
2.9
|
27.0
|
1.0
|
O
|
0:HOH3208
|
2.9
|
39.8
|
1.0
|
O6
|
0:G1072
|
3.0
|
29.5
|
1.0
|
O
|
0:HOH5029
|
3.1
|
62.1
|
1.0
|
O
|
0:HOH3240
|
3.1
|
54.4
|
1.0
|
O6
|
0:G1087
|
3.3
|
30.9
|
1.0
|
O
|
0:HOH9076
|
3.4
|
24.5
|
1.0
|
C5
|
0:G1072
|
3.5
|
27.0
|
1.0
|
C6
|
0:G1072
|
3.5
|
26.4
|
1.0
|
C8
|
0:G1072
|
4.0
|
25.8
|
1.0
|
P
|
0:C1069
|
4.1
|
27.1
|
1.0
|
C6
|
0:G1087
|
4.2
|
28.1
|
1.0
|
C5'
|
0:C1068
|
4.3
|
32.8
|
1.0
|
O
|
0:HOH3578
|
4.5
|
35.0
|
1.0
|
C3'
|
0:C1068
|
4.5
|
28.8
|
1.0
|
O3'
|
0:C1068
|
4.6
|
26.9
|
1.0
|
C4
|
0:G1072
|
4.7
|
27.2
|
1.0
|
OP2
|
0:C1068
|
4.7
|
36.0
|
1.0
|
OP1
|
0:C1069
|
4.8
|
22.5
|
1.0
|
N1
|
0:G1072
|
4.8
|
24.9
|
1.0
|
N1
|
0:G1087
|
4.9
|
27.3
|
1.0
|
O
|
0:HOH5390
|
4.9
|
51.2
|
1.0
|
N9
|
0:G1072
|
5.0
|
25.3
|
1.0
|
|
Sodium binding site 9 out
of 75 in 3cc4
Go back to
Sodium Binding Sites List in 3cc4
Sodium binding site 9 out
of 75 in the Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 9 of Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
0:Na8502
b:67.2
occ:1.00
|
OP2
|
0:U1120
|
3.0
|
39.4
|
1.0
|
O6
|
0:G1121
|
3.1
|
32.4
|
1.0
|
O
|
0:HOH4604
|
3.2
|
49.1
|
1.0
|
O2'
|
0:G1119
|
3.2
|
32.6
|
1.0
|
N7
|
0:G1121
|
3.3
|
34.2
|
1.0
|
O
|
0:HOH4225
|
3.3
|
34.6
|
1.0
|
MG
|
0:MG8018
|
3.4
|
38.8
|
1.0
|
O4
|
0:U1122
|
3.5
|
37.8
|
1.0
|
O3'
|
0:G1119
|
3.5
|
35.9
|
1.0
|
O
|
0:HOH5750
|
3.5
|
49.8
|
1.0
|
C6
|
0:G1121
|
3.8
|
31.2
|
1.0
|
P
|
0:U1120
|
3.9
|
39.2
|
1.0
|
C5
|
0:G1121
|
3.9
|
31.6
|
1.0
|
O
|
0:HOH7015
|
4.0
|
55.6
|
1.0
|
O
|
0:HOH7864
|
4.0
|
55.9
|
1.0
|
C4
|
0:U1122
|
4.1
|
37.0
|
1.0
|
C2'
|
0:G1119
|
4.2
|
31.9
|
1.0
|
C5
|
0:U1122
|
4.3
|
35.8
|
1.0
|
C3'
|
0:G1119
|
4.4
|
33.4
|
1.0
|
C8
|
0:G1121
|
4.5
|
33.2
|
1.0
|
C1'
|
0:G1119
|
4.7
|
30.4
|
1.0
|
OP1
|
0:U1120
|
4.8
|
41.6
|
1.0
|
N6
|
0:A1242
|
4.9
|
35.8
|
1.0
|
|
Sodium binding site 10 out
of 75 in 3cc4
Go back to
Sodium Binding Sites List in 3cc4
Sodium binding site 10 out
of 75 in the Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 10 of Co-Crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
0:Na8504
b:26.5
occ:1.00
|
O2'
|
0:A631
|
2.8
|
27.1
|
1.0
|
O
|
0:HOH4757
|
2.8
|
33.1
|
1.0
|
N3
|
0:A630
|
2.8
|
30.8
|
1.0
|
O2'
|
0:A630
|
2.9
|
31.3
|
1.0
|
O
|
0:HOH4143
|
2.9
|
39.9
|
1.0
|
O
|
0:HOH5852
|
3.0
|
49.6
|
1.0
|
OP2
|
0:A2074
|
3.3
|
31.3
|
1.0
|
C2'
|
0:A631
|
3.5
|
27.6
|
1.0
|
C1'
|
0:A630
|
3.7
|
29.9
|
1.0
|
C2
|
0:A630
|
3.7
|
30.5
|
1.0
|
C2'
|
0:A630
|
3.8
|
30.2
|
1.0
|
C4
|
0:A630
|
3.8
|
29.6
|
1.0
|
N2
|
0:G2070
|
3.9
|
31.2
|
1.0
|
C3'
|
0:A631
|
3.9
|
25.3
|
1.0
|
O3'
|
0:A630
|
4.0
|
26.3
|
1.0
|
N9
|
0:A630
|
4.2
|
30.2
|
1.0
|
OP1
|
0:A632
|
4.2
|
30.9
|
1.0
|
O3'
|
0:A631
|
4.3
|
27.1
|
1.0
|
O
|
0:HOH9434
|
4.3
|
23.2
|
1.0
|
N1
|
0:A629
|
4.4
|
31.0
|
1.0
|
C3'
|
0:A630
|
4.6
|
26.9
|
1.0
|
C2
|
0:A629
|
4.6
|
31.5
|
1.0
|
C2
|
0:G2070
|
4.6
|
30.9
|
1.0
|
OP2
|
0:G2072
|
4.7
|
44.0
|
1.0
|
P
|
0:A2074
|
4.7
|
30.2
|
1.0
|
P
|
0:A632
|
4.7
|
30.4
|
1.0
|
O4'
|
0:A630
|
4.8
|
29.9
|
1.0
|
C1'
|
0:A631
|
4.9
|
26.4
|
1.0
|
N1
|
0:A630
|
5.0
|
31.9
|
1.0
|
|
Reference:
G.Blaha,
G.Gurel,
S.J.Schroeder,
P.B.Moore,
T.A.Steitz.
Mutations Outside the Anisomycin-Binding Site Can Make Ribosomes Drug-Resistant. J.Mol.Biol. V. 379 505 2008.
ISSN: ISSN 0022-2836
PubMed: 18455733
DOI: 10.1016/J.JMB.2008.03.075
Page generated: Mon Oct 7 06:14:17 2024
|