Iron in PDB 7mjy: Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna
Enzymatic activity of Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna
All present enzymatic activity of Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna:
2.8.4.3;
Protein crystallography data
The structure of Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna, PDB code: 7mjy
was solved by
O.A.Esakova,
T.L.Grove,
N.H.Yennawar,
A.J.Arcinas,
B.Wang,
C.Krebs,
S.C.Almo,
S.J.Booker,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.37 /
1.86
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
53.834,
79.982,
110.137,
90,
90,
90
|
R / Rfree (%)
|
17.4 /
20.9
|
Other elements in 7mjy:
The structure of Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna
(pdb code 7mjy). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 7 binding sites of Iron where determined in the
Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna, PDB code: 7mjy:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
Iron binding site 1 out
of 7 in 7mjy
Go back to
Iron Binding Sites List in 7mjy
Iron binding site 1 out
of 7 in the Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe611
b:13.8
occ:1.00
|
FE1
|
A:F3S611
|
0.0
|
13.8
|
1.0
|
S3
|
A:F3S611
|
2.2
|
16.5
|
1.0
|
S2
|
A:F3S611
|
2.2
|
17.4
|
1.0
|
S1
|
A:F3S611
|
2.2
|
15.7
|
1.0
|
SG
|
A:CYS63
|
2.3
|
15.4
|
1.0
|
FE3
|
A:F3S611
|
2.7
|
14.1
|
1.0
|
FE4
|
A:F3S611
|
2.7
|
15.5
|
1.0
|
CB
|
A:CYS63
|
3.2
|
15.7
|
1.0
|
CA
|
A:CYS63
|
3.7
|
16.5
|
1.0
|
CB
|
A:ILE65
|
3.8
|
15.6
|
1.0
|
S4
|
A:F3S611
|
3.9
|
16.6
|
1.0
|
N
|
A:SER64
|
4.0
|
13.7
|
1.0
|
N
|
A:ILE65
|
4.1
|
13.3
|
1.0
|
C
|
A:CYS63
|
4.3
|
14.8
|
1.0
|
CG2
|
A:ILE65
|
4.4
|
10.7
|
1.0
|
CA
|
A:GLY26
|
4.4
|
21.2
|
1.0
|
CA
|
A:ILE65
|
4.5
|
11.3
|
1.0
|
N
|
A:CYS27
|
4.6
|
17.6
|
1.0
|
SG
|
A:CYS97
|
4.8
|
14.9
|
1.0
|
CG1
|
A:ILE65
|
4.8
|
14.0
|
1.0
|
CD1
|
A:ILE65
|
4.8
|
13.6
|
1.0
|
SG
|
A:CYS27
|
4.8
|
18.5
|
1.0
|
CB
|
A:CYS97
|
4.8
|
15.2
|
1.0
|
O
|
M:HOH103
|
4.9
|
39.6
|
1.0
|
N
|
A:CYS63
|
5.0
|
14.6
|
1.0
|
|
Iron binding site 2 out
of 7 in 7mjy
Go back to
Iron Binding Sites List in 7mjy
Iron binding site 2 out
of 7 in the Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe611
b:14.1
occ:1.00
|
FE3
|
A:F3S611
|
0.0
|
14.1
|
1.0
|
S3
|
A:F3S611
|
2.2
|
16.5
|
1.0
|
S4
|
A:F3S611
|
2.2
|
16.6
|
1.0
|
S1
|
A:F3S611
|
2.2
|
15.7
|
1.0
|
SG
|
A:CYS97
|
2.3
|
14.9
|
1.0
|
FE1
|
A:F3S611
|
2.7
|
13.8
|
1.0
|
FE4
|
A:F3S611
|
2.8
|
15.5
|
1.0
|
CB
|
A:CYS97
|
3.2
|
15.2
|
1.0
|
S2
|
A:F3S611
|
3.9
|
17.4
|
1.0
|
OG1
|
A:THR183
|
4.3
|
13.2
|
1.0
|
CD
|
A:ARG184
|
4.3
|
19.3
|
1.0
|
O
|
A:HOH743
|
4.3
|
22.3
|
1.0
|
CG
|
A:ARG184
|
4.3
|
15.9
|
1.0
|
CA
|
A:CYS63
|
4.6
|
16.5
|
1.0
|
CA
|
A:CYS97
|
4.6
|
13.7
|
1.0
|
SG
|
A:CYS63
|
4.7
|
15.4
|
1.0
|
O
|
A:THR62
|
4.7
|
16.3
|
1.0
|
CG2
|
A:VAL180
|
4.7
|
10.4
|
1.0
|
N
|
A:SER64
|
4.8
|
13.7
|
1.0
|
SG
|
A:CYS27
|
4.9
|
18.5
|
1.0
|
CB
|
A:CYS63
|
4.9
|
15.7
|
1.0
|
N
|
A:CYS97
|
5.0
|
15.8
|
1.0
|
|
Iron binding site 3 out
of 7 in 7mjy
Go back to
Iron Binding Sites List in 7mjy
Iron binding site 3 out
of 7 in the Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe611
b:15.5
occ:1.00
|
FE4
|
A:F3S611
|
0.0
|
15.5
|
1.0
|
S4
|
A:F3S611
|
2.2
|
16.6
|
1.0
|
S3
|
A:F3S611
|
2.2
|
16.5
|
1.0
|
S2
|
A:F3S611
|
2.2
|
17.4
|
1.0
|
SG
|
A:CYS27
|
2.3
|
18.5
|
1.0
|
FE1
|
A:F3S611
|
2.7
|
13.8
|
1.0
|
FE3
|
A:F3S611
|
2.8
|
14.1
|
1.0
|
CB
|
A:CYS27
|
3.3
|
16.0
|
1.0
|
N
|
A:CYS27
|
3.7
|
17.6
|
1.0
|
S1
|
A:F3S611
|
4.0
|
15.7
|
1.0
|
CA
|
A:CYS27
|
4.1
|
15.2
|
1.0
|
NE2
|
A:GLN215
|
4.6
|
20.5
|
1.0
|
SG
|
A:CYS63
|
4.8
|
15.4
|
1.0
|
C
|
A:GLY26
|
4.8
|
29.2
|
1.0
|
SG
|
A:CYS97
|
4.9
|
14.9
|
1.0
|
CG
|
A:MET29
|
4.9
|
33.5
|
1.0
|
CB
|
A:MET29
|
4.9
|
25.1
|
1.0
|
C
|
A:CYS27
|
5.0
|
22.8
|
1.0
|
CA
|
A:GLY26
|
5.0
|
21.2
|
1.0
|
|
Iron binding site 4 out
of 7 in 7mjy
Go back to
Iron Binding Sites List in 7mjy
Iron binding site 4 out
of 7 in the Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe612
b:15.7
occ:1.00
|
FE1
|
A:SF4612
|
0.0
|
15.7
|
1.0
|
S3
|
A:SF4612
|
2.3
|
15.8
|
1.0
|
S4
|
A:SF4612
|
2.3
|
14.3
|
1.0
|
S2
|
A:SF4612
|
2.3
|
14.7
|
1.0
|
SG
|
A:CYS175
|
2.3
|
14.3
|
1.0
|
FE3
|
A:SF4612
|
2.7
|
14.8
|
1.0
|
FE4
|
A:SF4612
|
2.7
|
15.3
|
1.0
|
FE2
|
A:SF4612
|
2.7
|
16.4
|
1.0
|
CB
|
A:CYS175
|
3.2
|
16.2
|
1.0
|
NH1
|
A:ARG293
|
3.7
|
12.4
|
1.0
|
S1
|
A:SF4612
|
3.8
|
12.7
|
1.0
|
N
|
A:CYS175
|
4.0
|
15.4
|
1.0
|
O
|
A:SAH613
|
4.0
|
22.7
|
1.0
|
CA
|
A:CYS175
|
4.2
|
12.9
|
1.0
|
CB
|
A:ASN173
|
4.3
|
18.5
|
1.0
|
OH
|
A:TYR177
|
4.3
|
16.3
|
1.0
|
CB
|
A:CYS178
|
4.5
|
13.2
|
1.0
|
O
|
A:HOH823
|
4.6
|
20.4
|
1.0
|
SG
|
A:CYS178
|
4.6
|
14.0
|
1.0
|
SG
|
A:CYS171
|
4.7
|
16.3
|
1.0
|
CZ
|
A:TYR177
|
4.9
|
16.0
|
1.0
|
ND2
|
A:ASN173
|
5.0
|
25.9
|
1.0
|
N
|
A:PHE174
|
5.0
|
12.1
|
1.0
|
|
Iron binding site 5 out
of 7 in 7mjy
Go back to
Iron Binding Sites List in 7mjy
Iron binding site 5 out
of 7 in the Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe612
b:16.4
occ:1.00
|
FE2
|
A:SF4612
|
0.0
|
16.4
|
1.0
|
S3
|
A:SF4612
|
2.3
|
15.8
|
1.0
|
S4
|
A:SF4612
|
2.3
|
14.3
|
1.0
|
S1
|
A:SF4612
|
2.3
|
12.7
|
1.0
|
N
|
A:SAH613
|
2.4
|
20.4
|
1.0
|
O
|
A:SAH613
|
2.4
|
22.7
|
1.0
|
FE1
|
A:SF4612
|
2.7
|
15.7
|
1.0
|
FE4
|
A:SF4612
|
2.8
|
15.3
|
1.0
|
FE3
|
A:SF4612
|
2.8
|
14.8
|
1.0
|
CA
|
A:SAH613
|
3.0
|
24.0
|
1.0
|
C
|
A:SAH613
|
3.0
|
20.6
|
1.0
|
CB
|
A:SAH613
|
3.3
|
25.5
|
1.0
|
S2
|
A:SF4612
|
3.9
|
14.7
|
1.0
|
O
|
A:HOH738
|
4.0
|
20.1
|
1.0
|
OXT
|
A:SAH613
|
4.2
|
25.2
|
1.0
|
CG
|
A:SAH613
|
4.3
|
25.0
|
1.0
|
NH1
|
A:ARG293
|
4.3
|
12.4
|
1.0
|
O
|
A:GLN215
|
4.4
|
15.1
|
1.0
|
OE1
|
A:GLN215
|
4.5
|
17.1
|
1.0
|
SG
|
A:CYS171
|
4.7
|
16.3
|
1.0
|
CB
|
A:GLN215
|
4.8
|
11.6
|
1.0
|
SG
|
A:CYS178
|
4.8
|
14.0
|
1.0
|
SG
|
A:CYS175
|
4.8
|
14.3
|
1.0
|
O
|
A:HOH719
|
5.0
|
24.0
|
1.0
|
|
Iron binding site 6 out
of 7 in 7mjy
Go back to
Iron Binding Sites List in 7mjy
Iron binding site 6 out
of 7 in the Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe612
b:14.8
occ:1.00
|
FE3
|
A:SF4612
|
0.0
|
14.8
|
1.0
|
S2
|
A:SF4612
|
2.3
|
14.7
|
1.0
|
S1
|
A:SF4612
|
2.3
|
12.7
|
1.0
|
SG
|
A:CYS178
|
2.3
|
14.0
|
1.0
|
S4
|
A:SF4612
|
2.3
|
14.3
|
1.0
|
FE1
|
A:SF4612
|
2.7
|
15.7
|
1.0
|
FE4
|
A:SF4612
|
2.7
|
15.3
|
1.0
|
FE2
|
A:SF4612
|
2.8
|
16.4
|
1.0
|
CB
|
A:CYS178
|
3.1
|
13.2
|
1.0
|
S3
|
A:SF4612
|
3.9
|
15.8
|
1.0
|
CB
|
A:VAL180
|
4.1
|
15.3
|
1.0
|
CD
|
A:PRO181
|
4.3
|
12.9
|
1.0
|
CG2
|
A:VAL180
|
4.5
|
10.4
|
1.0
|
CA
|
A:CYS178
|
4.5
|
12.3
|
1.0
|
SG
|
A:CYS175
|
4.6
|
14.3
|
1.0
|
N
|
A:SAH613
|
4.7
|
20.4
|
1.0
|
CB
|
A:CYS175
|
4.7
|
16.2
|
1.0
|
CB
|
A:SAH613
|
4.7
|
25.5
|
1.0
|
CG
|
A:PRO181
|
4.8
|
16.7
|
1.0
|
SG
|
A:CYS171
|
4.9
|
16.3
|
1.0
|
CE1
|
A:TYR177
|
4.9
|
14.0
|
1.0
|
N
|
A:VAL180
|
4.9
|
17.5
|
1.0
|
CG1
|
A:VAL180
|
4.9
|
16.0
|
1.0
|
O
|
A:SAH613
|
5.0
|
22.7
|
1.0
|
|
Iron binding site 7 out
of 7 in 7mjy
Go back to
Iron Binding Sites List in 7mjy
Iron binding site 7 out
of 7 in the Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Miab in the Complex with S-Adenosyl-L-Homocysteine and Rna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe612
b:15.3
occ:1.00
|
FE4
|
A:SF4612
|
0.0
|
15.3
|
1.0
|
S1
|
A:SF4612
|
2.2
|
12.7
|
1.0
|
SG
|
A:CYS171
|
2.3
|
16.3
|
1.0
|
S2
|
A:SF4612
|
2.3
|
14.7
|
1.0
|
S3
|
A:SF4612
|
2.3
|
15.8
|
1.0
|
FE1
|
A:SF4612
|
2.7
|
15.7
|
1.0
|
FE3
|
A:SF4612
|
2.7
|
14.8
|
1.0
|
FE2
|
A:SF4612
|
2.8
|
16.4
|
1.0
|
CB
|
A:CYS171
|
3.3
|
19.6
|
1.0
|
S4
|
A:SF4612
|
3.9
|
14.3
|
1.0
|
CB
|
A:ASN173
|
4.1
|
18.5
|
1.0
|
ND2
|
A:ASN173
|
4.3
|
25.9
|
1.0
|
N
|
A:SAH613
|
4.5
|
20.4
|
1.0
|
CG
|
A:PRO181
|
4.6
|
16.7
|
1.0
|
CB
|
A:GLN215
|
4.6
|
11.6
|
1.0
|
CA
|
A:CYS171
|
4.7
|
21.2
|
1.0
|
N
|
A:ASN173
|
4.7
|
18.6
|
1.0
|
CG
|
A:ASN173
|
4.7
|
21.1
|
1.0
|
SG
|
A:CYS175
|
4.8
|
14.3
|
1.0
|
SG
|
A:CYS178
|
4.8
|
14.0
|
1.0
|
N
|
A:PHE174
|
4.9
|
12.1
|
1.0
|
CD
|
A:PRO181
|
4.9
|
12.9
|
1.0
|
O
|
A:SAH613
|
4.9
|
22.7
|
1.0
|
CA
|
A:ASN173
|
4.9
|
20.6
|
1.0
|
|
Reference:
O.A.Esakova,
T.L.Grove,
N.H.Yennawar,
A.J.Arcinas,
B.Wang,
C.Krebs,
S.C.Almo,
S.J.Booker.
Structural Basis For Trna Methylthiolation By the Radical Sam Enzyme Miab Nature 2021.
ISSN: ESSN 1476-4687
DOI: 10.1038/S41586-021-03904-6
Page generated: Thu Aug 8 09:18:07 2024
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