Iron in PDB 7voc: The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S

The structure of The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S, PDB code: 7voc was solved by X.L.Hou, J.H.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.22 / 2.62
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	163.92, 163.92, 158.81, 90, 90, 90
R / Rfree (%)	21.4 / 23.4

The binding sites of Iron atom in the The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S (pdb code 7voc). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S, PDB code: 7voc:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:65.3 occ:1.00 FE1 C:SF4401 0.0 65.3 1.0 S2 C:SF4401 2.2 68.3 1.0 S4 C:SF4401 2.3 71.0 1.0 S3 C:SF4401 2.3 72.1 1.0 OXT C:SAM403 2.5 68.7 1.0 N C:SAM403 2.6 63.2 1.0 FE4 C:SF4401 2.7 62.1 1.0 FE3 C:SF4401 2.7 61.9 1.0 FE2 C:SF4401 2.8 61.5 1.0 C C:SAM403 3.3 76.0 1.0 SD C:SAM403 3.4 74.6 1.0 CA C:SAM403 3.4 72.3 1.0 CG C:SAM403 3.7 59.6 1.0 S1 C:SF4401 3.9 65.8 1.0 NH1 C:ARG136 4.0 61.8 1.0 CB C:SAM403 4.1 65.9 1.0 CE C:SAM403 4.1 68.2 1.0 O C:GLY74 4.2 64.5 1.0 O C:SAM403 4.5 77.2 1.0 SG C:CYS31 4.7 65.0 1.0 C C:GLY74 4.8 63.2 1.0 CZ C:ARG136 4.9 67.3 1.0 CB C:ASN101 4.9 51.5 1.0

Iron binding site 2 out of 8 in the The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:61.5 occ:1.00 FE2 C:SF4401 0.0 61.5 1.0 S1 C:SF4401 2.2 65.8 1.0 S3 C:SF4401 2.3 72.1 1.0 S4 C:SF4401 2.3 71.0 1.0 SG C:CYS38 2.6 74.0 1.0 FE3 C:SF4401 2.7 61.9 1.0 FE4 C:SF4401 2.7 62.1 1.0 FE1 C:SF4401 2.8 65.3 1.0 CB C:CYS38 3.0 62.1 1.0 S2 C:SF4401 3.8 68.3 1.0 CE C:SAM403 4.1 68.2 1.0 CB C:PHE40 4.3 60.6 1.0 SD C:SAM403 4.5 74.6 1.0 CA C:CYS38 4.5 56.7 1.0 CD2 C:PHE40 4.6 50.2 1.0 CB C:CYS35 4.7 59.5 1.0 N C:ALA41 4.7 61.9 1.0 C C:PHE40 4.7 65.1 1.0 C8 C:SAM403 4.8 68.5 1.0 N C:PHE40 4.8 60.3 1.0 CA C:PHE40 4.9 62.4 1.0 SG C:CYS35 4.9 64.5 1.0 CG C:PHE40 4.9 61.1 1.0 C C:CYS38 5.0 63.2 1.0 OXT C:SAM403 5.0 68.7 1.0

Iron binding site 3 out of 8 in the The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:61.9 occ:1.00 FE3 C:SF4401 0.0 61.9 1.0 S4 C:SF4401 2.2 71.0 1.0 S2 C:SF4401 2.3 68.3 1.0 S1 C:SF4401 2.3 65.8 1.0 SG C:CYS35 2.6 64.5 1.0 FE2 C:SF4401 2.7 61.5 1.0 FE1 C:SF4401 2.7 65.3 1.0 FE4 C:SF4401 2.7 62.1 1.0 CB C:CYS35 3.3 59.5 1.0 NH1 C:ARG136 3.6 61.8 1.0 S3 C:SF4401 3.8 72.1 1.0 CZ C:ARG136 4.1 67.3 1.0 CB C:ALA33 4.4 60.1 1.0 OXT C:SAM403 4.4 68.7 1.0 CA C:CYS35 4.5 58.9 1.0 NE C:ARG136 4.5 67.1 1.0 N C:CYS35 4.5 61.8 1.0 CB C:CYS38 4.5 62.1 1.0 NH2 C:ARG136 4.6 63.3 1.0 CD C:ARG136 4.7 61.5 1.0 SG C:CYS31 4.9 65.0 1.0

Iron binding site 4 out of 8 in the The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:62.1 occ:1.00 FE4 C:SF4401 0.0 62.1 1.0 S3 C:SF4401 2.2 72.1 1.0 S1 C:SF4401 2.3 65.8 1.0 S2 C:SF4401 2.3 68.3 1.0 SG C:CYS31 2.6 65.0 1.0 FE2 C:SF4401 2.7 61.5 1.0 FE1 C:SF4401 2.7 65.3 1.0 FE3 C:SF4401 2.7 61.9 1.0 CB C:CYS31 3.3 60.9 1.0 S4 C:SF4401 3.8 71.0 1.0 CB C:ALA33 4.2 60.1 1.0 N C:SAM403 4.3 63.2 1.0 O C:PHE40 4.5 74.0 1.0 CA C:CYS31 4.7 62.5 1.0 C C:PHE40 4.8 65.1 1.0 C C:GLY74 4.8 63.2 1.0 CB C:PHE40 4.8 60.6 1.0 O C:GLY74 4.8 64.5 1.0 N C:ALA33 4.8 60.4 1.0 ND2 C:ASN101 4.8 50.8 1.0 O C:ALA33 4.8 67.6 1.0 CA C:GLY74 4.9 57.2 1.0 CA C:ALA33 4.9 61.3 1.0 C C:ALA33 4.9 65.6 1.0 SG C:CYS35 5.0 64.5 1.0 N C:ALA41 5.0 61.9 1.0

Iron binding site 5 out of 8 in the The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe402 b:73.2 occ:1.00 FE1 C:SF4402 0.0 73.2 1.0 S2 C:SF4402 2.2 68.7 1.0 S3 C:SF4402 2.3 68.9 1.0 S4 C:SF4402 2.3 75.2 1.0 SG C:CYS255 2.6 80.7 1.0 FE3 C:SF4402 2.6 68.6 1.0 FE4 C:SF4402 2.7 72.0 1.0 FE2 C:SF4402 2.7 72.4 1.0 CB C:CYS255 3.5 75.7 1.0 S1 C:SF4402 3.8 71.2 1.0 CB C:VAL257 4.5 65.8 1.0 CB C:ALA250 4.6 65.2 1.0 CG1 C:VAL258 4.6 66.0 1.0 CA C:CYS255 4.9 74.0 1.0 CA C:GLY315 5.0 78.3 1.0

Iron binding site 6 out of 8 in the The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe402 b:72.4 occ:1.00 FE2 C:SF4402 0.0 72.4 1.0 S1 C:SF4402 2.3 71.2 1.0 S4 C:SF4402 2.3 75.2 1.0 S3 C:SF4402 2.3 68.9 1.0 FE4 C:SF4402 2.7 72.0 1.0 SG C:CYS319 2.7 83.2 1.0 FE1 C:SF4402 2.7 73.2 1.0 FE3 C:SF4402 2.7 68.6 1.0 CB C:CYS319 3.2 75.6 1.0 S2 C:SF4402 3.8 68.7 1.0 CA C:GLY315 4.2 78.3 1.0 CD2 C:LEU277 4.4 80.0 1.0 O C:GLY315 4.5 83.6 1.0 C C:GLY315 4.6 86.2 1.0 CD1 C:PHE311 4.7 84.0 1.0 CA C:CYS319 4.7 80.2 1.0 CG C:LEU277 4.8 81.7 1.0 CB C:CYS322 4.9 80.2 1.0

Iron binding site 7 out of 8 in the The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe402 b:68.6 occ:1.00 FE3 C:SF4402 0.0 68.6 1.0 S4 C:SF4402 2.2 75.2 1.0 S2 C:SF4402 2.3 68.7 1.0 S1 C:SF4402 2.3 71.2 1.0 FE1 C:SF4402 2.6 73.2 1.0 FE2 C:SF4402 2.7 72.4 1.0 SG C:CYS322 2.8 77.0 1.0 FE4 C:SF4402 2.8 72.0 1.0 CB C:CYS322 3.2 80.2 1.0 S3 C:SF4402 3.9 68.9 1.0 CA C:CYS322 4.1 75.1 1.0 N C:ALA250 4.5 75.1 1.0 CB C:ARG249 4.5 74.6 1.0 CB C:ALA326 4.7 69.0 1.0 CB C:CYS319 4.7 75.6 1.0 CB C:ALA250 4.9 65.2 1.0 CA C:ARG249 4.9 72.0 1.0 SG C:CYS255 5.0 80.7 1.0 SG C:CYS274 5.0 76.8 1.0

Iron binding site 8 out of 8 in the The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe402 b:72.0 occ:1.00 FE4 C:SF4402 0.0 72.0 1.0 S3 C:SF4402 2.2 68.9 1.0 S1 C:SF4402 2.3 71.2 1.0 S2 C:SF4402 2.3 68.7 1.0 FE1 C:SF4402 2.7 73.2 1.0 SG C:CYS274 2.7 76.8 1.0 FE2 C:SF4402 2.7 72.4 1.0 FE3 C:SF4402 2.8 68.6 1.0 CB C:CYS274 3.2 70.7 1.0 S4 C:SF4402 3.9 75.2 1.0 CG C:LEU277 4.2 81.7 1.0 CB C:CYS276 4.6 66.8 1.0 CD2 C:LEU277 4.7 80.0 1.0 CD1 C:LEU277 4.7 82.8 1.0 CA C:CYS274 4.7 73.2 1.0 SG C:CYS255 4.9 80.7 1.0 N C:LEU277 4.9 83.1 1.0 CG1 C:VAL257 5.0 62.8 1.0

Y.H.Lee, X.Hou, R.Chen, J.Feng, X.Liu, M.W.Ruszczycky, J.M.Gao, B.Wang, J.Zhou, H.W.Liu. Radical S -Adenosyl Methionine Enzyme Blse Catalyzes A Radical-Mediated 1,2-Diol Dehydration During the Biosynthesis of Blasticidin S. J.Am.Chem.Soc. V. 144 4478 2022.
ISSN: ESSN 1520-5126
PubMed: 35238201
DOI: 10.1021/JACS.1C12010