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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:

Chlorine (Cl) 1 atom

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

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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

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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

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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

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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: Wed Aug 6 23:58:44 2025

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