Iron in PDB 5d6s: Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus.
Protein crystallography data
The structure of Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus., PDB code: 5d6s
was solved by
K.A.P.Payne,
K.Fisher,
M.S.Dunstan,
H.Sjuts,
D.Leys,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
88.58 /
2.65
|
Space group
|
P 31 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
106.120,
106.120,
332.280,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
21.4 /
25.3
|
Other elements in 5d6s:
The structure of Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus. also contains other interesting chemical elements:
Iron Binding Sites:
Iron binding site 1 out
of 40 in 5d6s
Go back to
Iron Binding Sites List in 5d6s
Iron binding site 1 out
of 40 in the Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus.
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:73.6
occ:1.00
|
FE1
|
A:SF4401
|
0.0
|
73.6
|
1.0
|
S4
|
A:SF4401
|
2.1
|
76.8
|
1.0
|
S3
|
A:SF4401
|
2.1
|
65.7
|
1.0
|
S2
|
A:SF4401
|
2.1
|
74.2
|
1.0
|
SG
|
A:CYS190
|
2.3
|
79.2
|
1.0
|
FE4
|
A:SF4401
|
2.5
|
69.9
|
1.0
|
FE3
|
A:SF4401
|
2.6
|
69.2
|
1.0
|
FE2
|
A:SF4401
|
2.6
|
73.3
|
1.0
|
CB
|
A:CYS190
|
3.4
|
75.3
|
1.0
|
S1
|
A:SF4401
|
3.6
|
78.0
|
1.0
|
N
|
A:CYS190
|
4.1
|
80.6
|
1.0
|
N
|
A:ASN151
|
4.3
|
64.7
|
1.0
|
CB
|
A:LYS150
|
4.4
|
88.7
|
1.0
|
CA
|
A:CYS190
|
4.4
|
68.3
|
1.0
|
SG
|
A:CYS184
|
4.5
|
95.5
|
1.0
|
N
|
A:LYS150
|
4.5
|
71.7
|
1.0
|
CB
|
A:ASN151
|
4.5
|
61.5
|
1.0
|
SG
|
A:CYS187
|
4.6
|
79.6
|
1.0
|
SG
|
A:CYS243
|
4.7
|
65.4
|
1.0
|
N
|
A:ARG189
|
4.7
|
75.1
|
1.0
|
CG
|
A:ASN151
|
4.7
|
62.0
|
1.0
|
ND2
|
A:ASN151
|
4.8
|
60.5
|
1.0
|
CA
|
A:LYS150
|
4.8
|
75.0
|
1.0
|
C
|
A:LYS150
|
4.9
|
70.3
|
1.0
|
CD
|
A:LYS150
|
5.0
|
96.4
|
1.0
|
|
Iron binding site 2 out
of 40 in 5d6s
Go back to
Iron Binding Sites List in 5d6s
Iron binding site 2 out
of 40 in the Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus.
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:73.3
occ:1.00
|
FE2
|
A:SF4401
|
0.0
|
73.3
|
1.0
|
S4
|
A:SF4401
|
2.1
|
76.8
|
1.0
|
S3
|
A:SF4401
|
2.1
|
65.7
|
1.0
|
S1
|
A:SF4401
|
2.2
|
78.0
|
1.0
|
SG
|
A:CYS187
|
2.4
|
79.6
|
1.0
|
FE4
|
A:SF4401
|
2.5
|
69.9
|
1.0
|
FE3
|
A:SF4401
|
2.5
|
69.2
|
1.0
|
FE1
|
A:SF4401
|
2.6
|
73.6
|
1.0
|
CB
|
A:CYS187
|
3.1
|
90.9
|
1.0
|
S2
|
A:SF4401
|
3.5
|
74.2
|
1.0
|
CD
|
A:PRO244
|
3.7
|
92.2
|
1.0
|
SG
|
A:CYS243
|
4.3
|
65.4
|
1.0
|
CG
|
A:PRO244
|
4.3
|
89.0
|
1.0
|
N
|
A:ARG188
|
4.3
|
78.2
|
1.0
|
CA
|
A:CYS187
|
4.4
|
96.9
|
1.0
|
N
|
A:ARG189
|
4.4
|
75.1
|
1.0
|
C
|
A:CYS187
|
4.4
|
92.8
|
1.0
|
SG
|
A:CYS184
|
4.5
|
95.5
|
1.0
|
SG
|
A:CYS190
|
4.6
|
79.2
|
1.0
|
CB
|
A:ARG189
|
4.7
|
75.9
|
1.0
|
CA
|
A:CYS243
|
5.0
|
75.8
|
1.0
|
|
Iron binding site 3 out
of 40 in 5d6s
Go back to
Iron Binding Sites List in 5d6s
Iron binding site 3 out
of 40 in the Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus.
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:69.2
occ:1.00
|
FE3
|
A:SF4401
|
0.0
|
69.2
|
1.0
|
S4
|
A:SF4401
|
2.1
|
76.8
|
1.0
|
S2
|
A:SF4401
|
2.1
|
74.2
|
1.0
|
S1
|
A:SF4401
|
2.1
|
78.0
|
1.0
|
SG
|
A:CYS243
|
2.2
|
65.4
|
1.0
|
FE2
|
A:SF4401
|
2.5
|
73.3
|
1.0
|
FE1
|
A:SF4401
|
2.6
|
73.6
|
1.0
|
FE4
|
A:SF4401
|
2.6
|
69.9
|
1.0
|
CB
|
A:CYS243
|
3.2
|
75.4
|
1.0
|
S3
|
A:SF4401
|
3.6
|
65.7
|
1.0
|
CA
|
A:CYS243
|
3.8
|
75.8
|
1.0
|
CD
|
A:PRO244
|
3.9
|
92.2
|
1.0
|
CD1
|
A:ILE155
|
4.4
|
83.7
|
1.0
|
ND2
|
A:ASN151
|
4.6
|
60.5
|
1.0
|
N
|
A:PRO244
|
4.6
|
88.1
|
1.0
|
C
|
A:CYS243
|
4.6
|
87.6
|
1.0
|
SG
|
A:CYS190
|
4.7
|
79.2
|
1.0
|
SG
|
A:CYS187
|
4.8
|
79.6
|
1.0
|
SG
|
A:CYS184
|
4.8
|
95.5
|
1.0
|
CD1
|
A:TYR245
|
4.8
|
67.3
|
1.0
|
N
|
A:CYS243
|
5.0
|
81.1
|
1.0
|
|
Iron binding site 4 out
of 40 in 5d6s
Go back to
Iron Binding Sites List in 5d6s
Iron binding site 4 out
of 40 in the Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus.
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:69.9
occ:1.00
|
FE4
|
A:SF4401
|
0.0
|
69.9
|
1.0
|
S1
|
A:SF4401
|
2.1
|
78.0
|
1.0
|
S2
|
A:SF4401
|
2.1
|
74.2
|
1.0
|
S3
|
A:SF4401
|
2.1
|
65.7
|
1.0
|
SG
|
A:CYS184
|
2.3
|
95.5
|
1.0
|
FE2
|
A:SF4401
|
2.5
|
73.3
|
1.0
|
FE1
|
A:SF4401
|
2.5
|
73.6
|
1.0
|
FE3
|
A:SF4401
|
2.6
|
69.2
|
1.0
|
CB
|
A:CYS184
|
3.5
|
91.8
|
1.0
|
S4
|
A:SF4401
|
3.5
|
76.8
|
1.0
|
N
|
A:LYS150
|
4.0
|
71.7
|
1.0
|
CA
|
A:CYS184
|
4.1
|
88.9
|
1.0
|
CA
|
A:GLY149
|
4.4
|
62.4
|
1.0
|
CB
|
A:CYS187
|
4.5
|
90.9
|
1.0
|
SG
|
A:CYS243
|
4.6
|
65.4
|
1.0
|
CB
|
A:LYS150
|
4.6
|
88.7
|
1.0
|
SG
|
A:CYS187
|
4.6
|
79.6
|
1.0
|
CD
|
A:LYS150
|
4.7
|
96.4
|
1.0
|
SG
|
A:CYS190
|
4.7
|
79.2
|
1.0
|
C
|
A:GLY149
|
4.8
|
66.2
|
1.0
|
CG
|
A:LYS150
|
4.8
|
93.4
|
1.0
|
CE2
|
A:PHE147
|
4.9
|
55.4
|
1.0
|
CA
|
A:LYS150
|
4.9
|
75.0
|
1.0
|
|
Iron binding site 5 out
of 40 in 5d6s
Go back to
Iron Binding Sites List in 5d6s
Iron binding site 5 out
of 40 in the Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus.
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe402
b:53.3
occ:1.00
|
FE1
|
A:SF4402
|
0.0
|
53.3
|
1.0
|
S2
|
A:SF4402
|
2.1
|
56.0
|
1.0
|
S4
|
A:SF4402
|
2.1
|
54.4
|
1.0
|
SG
|
A:CYS210
|
2.1
|
57.5
|
1.0
|
S3
|
A:SF4402
|
2.1
|
57.8
|
1.0
|
FE2
|
A:SF4402
|
2.6
|
64.4
|
1.0
|
FE3
|
A:SF4402
|
2.6
|
60.9
|
1.0
|
FE4
|
A:SF4402
|
2.6
|
57.2
|
1.0
|
CB
|
A:CYS210
|
3.5
|
51.0
|
1.0
|
S1
|
A:SF4402
|
3.6
|
60.0
|
1.0
|
CA
|
A:CYS210
|
3.8
|
54.2
|
1.0
|
SG
|
A:CYS198
|
3.8
|
59.0
|
1.0
|
N
|
A:LEU211
|
4.0
|
52.0
|
1.0
|
CE
|
A:MET205
|
4.3
|
57.4
|
1.0
|
C
|
A:CYS210
|
4.3
|
55.3
|
1.0
|
SG
|
A:CYS236
|
4.4
|
56.9
|
1.0
|
N
|
A:SER212
|
4.5
|
54.4
|
1.0
|
SG
|
A:CYS239
|
4.6
|
61.6
|
1.0
|
SG
|
A:CYS194
|
4.6
|
60.0
|
1.0
|
C42
|
A:B12403
|
4.6
|
56.5
|
1.0
|
CB
|
A:CYS236
|
4.6
|
54.3
|
1.0
|
N45
|
A:B12403
|
4.8
|
52.2
|
1.0
|
CB
|
A:SER212
|
5.0
|
55.1
|
1.0
|
|
Iron binding site 6 out
of 40 in 5d6s
Go back to
Iron Binding Sites List in 5d6s
Iron binding site 6 out
of 40 in the Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus.
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe402
b:64.4
occ:1.00
|
FE2
|
A:SF4402
|
0.0
|
64.4
|
1.0
|
S3
|
A:SF4402
|
2.1
|
57.8
|
1.0
|
S1
|
A:SF4402
|
2.1
|
60.0
|
1.0
|
S4
|
A:SF4402
|
2.1
|
54.4
|
1.0
|
SG
|
A:CYS236
|
2.3
|
56.9
|
1.0
|
FE1
|
A:SF4402
|
2.6
|
53.3
|
1.0
|
FE4
|
A:SF4402
|
2.6
|
57.2
|
1.0
|
FE3
|
A:SF4402
|
2.6
|
60.9
|
1.0
|
CB
|
A:CYS236
|
3.3
|
54.3
|
1.0
|
S2
|
A:SF4402
|
3.6
|
56.0
|
1.0
|
CD
|
A:PRO195
|
4.2
|
58.5
|
1.0
|
SG
|
A:CYS210
|
4.3
|
57.5
|
1.0
|
SG
|
A:CYS239
|
4.4
|
61.6
|
1.0
|
CB
|
A:ILE238
|
4.4
|
58.9
|
1.0
|
SG
|
A:CYS194
|
4.5
|
60.0
|
1.0
|
N
|
A:ILE238
|
4.6
|
62.6
|
1.0
|
CA
|
A:CYS236
|
4.6
|
50.6
|
1.0
|
C
|
A:CYS236
|
4.7
|
52.0
|
1.0
|
CB
|
A:LEU211
|
4.7
|
53.0
|
1.0
|
N
|
A:CYS239
|
4.7
|
64.6
|
1.0
|
N
|
A:LEU211
|
4.7
|
52.0
|
1.0
|
O
|
A:CYS236
|
4.8
|
61.3
|
1.0
|
CG
|
A:PRO195
|
5.0
|
55.4
|
1.0
|
CG
|
A:LEU211
|
5.0
|
52.5
|
1.0
|
CA
|
A:ILE238
|
5.0
|
60.4
|
1.0
|
|
Iron binding site 7 out
of 40 in 5d6s
Go back to
Iron Binding Sites List in 5d6s
Iron binding site 7 out
of 40 in the Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus.
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe402
b:60.9
occ:1.00
|
FE3
|
A:SF4402
|
0.0
|
60.9
|
1.0
|
S2
|
A:SF4402
|
2.1
|
56.0
|
1.0
|
S1
|
A:SF4402
|
2.1
|
60.0
|
1.0
|
S4
|
A:SF4402
|
2.1
|
54.4
|
1.0
|
SG
|
A:CYS239
|
2.2
|
61.6
|
1.0
|
FE4
|
A:SF4402
|
2.6
|
57.2
|
1.0
|
FE1
|
A:SF4402
|
2.6
|
53.3
|
1.0
|
FE2
|
A:SF4402
|
2.6
|
64.4
|
1.0
|
CB
|
A:CYS239
|
3.1
|
57.0
|
1.0
|
S3
|
A:SF4402
|
3.6
|
57.8
|
1.0
|
N
|
A:CYS239
|
4.0
|
64.6
|
1.0
|
N45
|
A:B12403
|
4.1
|
52.2
|
1.0
|
CA
|
A:CYS239
|
4.2
|
59.8
|
1.0
|
SG
|
A:CYS236
|
4.4
|
56.9
|
1.0
|
SG
|
A:CYS210
|
4.5
|
57.5
|
1.0
|
CD1
|
A:LEU199
|
4.5
|
57.1
|
1.0
|
SG
|
A:CYS194
|
4.6
|
60.0
|
1.0
|
C42
|
A:B12403
|
4.9
|
56.5
|
1.0
|
|
Iron binding site 8 out
of 40 in 5d6s
Go back to
Iron Binding Sites List in 5d6s
Iron binding site 8 out
of 40 in the Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus.
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe402
b:57.2
occ:1.00
|
FE4
|
A:SF4402
|
0.0
|
57.2
|
1.0
|
S1
|
A:SF4402
|
2.1
|
60.0
|
1.0
|
S2
|
A:SF4402
|
2.1
|
56.0
|
1.0
|
S3
|
A:SF4402
|
2.2
|
57.8
|
1.0
|
SG
|
A:CYS194
|
2.2
|
60.0
|
1.0
|
FE3
|
A:SF4402
|
2.6
|
60.9
|
1.0
|
FE2
|
A:SF4402
|
2.6
|
64.4
|
1.0
|
FE1
|
A:SF4402
|
2.6
|
53.3
|
1.0
|
CB
|
A:CYS194
|
3.2
|
68.8
|
1.0
|
SG
|
A:CYS198
|
3.5
|
59.0
|
1.0
|
S4
|
A:SF4402
|
3.6
|
54.4
|
1.0
|
CA
|
A:CYS194
|
3.8
|
72.6
|
1.0
|
CD
|
A:PRO195
|
4.1
|
58.5
|
1.0
|
CD1
|
A:LEU199
|
4.5
|
57.1
|
1.0
|
OG1
|
A:THR196
|
4.5
|
56.5
|
1.0
|
SG
|
A:CYS239
|
4.5
|
61.6
|
1.0
|
C
|
A:CYS194
|
4.6
|
70.8
|
1.0
|
SG
|
A:CYS210
|
4.6
|
57.5
|
1.0
|
CG
|
A:LEU199
|
4.7
|
59.3
|
1.0
|
N
|
A:PRO195
|
4.7
|
58.2
|
1.0
|
CB
|
A:CYS239
|
4.8
|
57.0
|
1.0
|
SG
|
A:CYS236
|
4.8
|
56.9
|
1.0
|
|
Iron binding site 9 out
of 40 in 5d6s
Go back to
Iron Binding Sites List in 5d6s
Iron binding site 9 out
of 40 in the Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus.
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe401
b:68.0
occ:1.00
|
FE1
|
B:SF4401
|
0.0
|
68.0
|
1.0
|
S2
|
B:SF4401
|
2.1
|
69.0
|
1.0
|
S4
|
B:SF4401
|
2.1
|
76.8
|
1.0
|
S3
|
B:SF4401
|
2.1
|
63.0
|
1.0
|
SG
|
B:CYS190
|
2.4
|
68.9
|
1.0
|
FE3
|
B:SF4401
|
2.5
|
64.1
|
1.0
|
FE4
|
B:SF4401
|
2.6
|
69.2
|
1.0
|
FE2
|
B:SF4401
|
2.6
|
71.3
|
1.0
|
CB
|
B:CYS190
|
3.4
|
65.2
|
1.0
|
S1
|
B:SF4401
|
3.6
|
75.8
|
1.0
|
N
|
B:CYS190
|
4.1
|
75.6
|
1.0
|
N
|
B:ASN151
|
4.3
|
54.5
|
1.0
|
CA
|
B:CYS190
|
4.4
|
63.5
|
1.0
|
CB
|
B:LYS150
|
4.4
|
84.6
|
1.0
|
SG
|
B:CYS184
|
4.5
|
77.3
|
1.0
|
CB
|
B:ASN151
|
4.5
|
51.7
|
1.0
|
N
|
B:LYS150
|
4.5
|
76.3
|
1.0
|
SG
|
B:CYS243
|
4.6
|
57.3
|
1.0
|
CG
|
B:ASN151
|
4.6
|
48.4
|
1.0
|
ND2
|
B:ASN151
|
4.7
|
49.4
|
1.0
|
SG
|
B:CYS187
|
4.7
|
69.9
|
1.0
|
N
|
B:ARG189
|
4.8
|
73.6
|
1.0
|
CA
|
B:LYS150
|
4.9
|
72.6
|
1.0
|
C
|
B:LYS150
|
4.9
|
68.9
|
1.0
|
CA
|
B:ASN151
|
5.0
|
53.7
|
1.0
|
|
Iron binding site 10 out
of 40 in 5d6s
Go back to
Iron Binding Sites List in 5d6s
Iron binding site 10 out
of 40 in the Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus.
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Structure of Epoxyqueuosine Reductase From Streptococcus Thermophilus. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe401
b:71.3
occ:1.00
|
FE2
|
B:SF4401
|
0.0
|
71.3
|
1.0
|
S3
|
B:SF4401
|
2.1
|
63.0
|
1.0
|
S4
|
B:SF4401
|
2.1
|
76.8
|
1.0
|
S1
|
B:SF4401
|
2.1
|
75.8
|
1.0
|
SG
|
B:CYS187
|
2.3
|
69.9
|
1.0
|
FE4
|
B:SF4401
|
2.5
|
69.2
|
1.0
|
FE3
|
B:SF4401
|
2.6
|
64.1
|
1.0
|
FE1
|
B:SF4401
|
2.6
|
68.0
|
1.0
|
CB
|
B:CYS187
|
2.9
|
92.2
|
1.0
|
S2
|
B:SF4401
|
3.6
|
69.0
|
1.0
|
CD
|
B:PRO244
|
3.8
|
98.4
|
1.0
|
N
|
B:ARG188
|
4.2
|
96.8
|
1.0
|
CA
|
B:CYS187
|
4.2
|
99.3
|
1.0
|
N
|
B:ARG189
|
4.3
|
73.6
|
1.0
|
C
|
B:CYS187
|
4.3
|
0.3
|
1.0
|
CG
|
B:PRO244
|
4.4
|
95.5
|
1.0
|
SG
|
B:CYS184
|
4.5
|
77.3
|
1.0
|
SG
|
B:CYS243
|
4.5
|
57.3
|
1.0
|
SG
|
B:CYS190
|
4.6
|
68.9
|
1.0
|
CB
|
B:ARG189
|
4.7
|
95.3
|
1.0
|
N
|
B:CYS190
|
4.9
|
75.6
|
1.0
|
O
|
B:CYS187
|
5.0
|
0.9
|
1.0
|
CB
|
B:CYS184
|
5.0
|
95.3
|
1.0
|
|
Reference:
K.A.Payne,
K.Fisher,
H.Sjuts,
M.S.Dunstan,
B.Bellina,
L.Johannissen,
P.Barran,
S.Hay,
S.E.Rigby,
D.Leys.
Epoxyqueuosine Reductase Structure Suggests A Mechanism For Cobalamin-Dependent Trna Modification. J.Biol.Chem. V. 290 27572 2015.
ISSN: ESSN 1083-351X
PubMed: 26378237
DOI: 10.1074/JBC.M115.685693
Page generated: Mon Aug 5 21:48:26 2024
|