Iron in PDB 7vob: 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: 7vob 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)	28.18 / 2.09
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	164.293, 164.293, 157.324, 90, 90, 90
R / Rfree (%)	22.3 / 23.7

The structure of The Crystal Structure of A Radical Sam Enzyme Blse Involved in the Biosynthesis of Blasticidin S also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

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 7vob). 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: 7vob:
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:42.1 occ:1.00 FE1 C:SF4401 0.0 42.1 1.0 S2 C:SF4401 2.2 45.5 1.0 S4 C:SF4401 2.3 43.9 1.0 S3 C:SF4401 2.3 42.4 1.0 SG C:CYS38 2.5 44.4 1.0 FE2 C:SF4401 2.6 41.7 1.0 FE4 C:SF4401 2.6 39.0 1.0 FE3 C:SF4401 2.8 42.5 1.0 CB C:CYS38 3.1 43.2 1.0 S1 C:SF4401 3.8 43.0 1.0 CE C:SAM403 4.0 58.6 1.0 CB C:PHE40 4.2 44.1 1.0 SD C:SAM403 4.4 47.5 1.0 CD2 C:PHE40 4.5 45.5 1.0 CA C:CYS38 4.6 46.2 1.0 N C:PHE40 4.7 43.5 1.0 SG C:CYS35 4.7 41.4 1.0 CB C:CYS35 4.8 38.8 1.0 CA C:PHE40 4.8 44.1 1.0 C C:PHE40 4.8 43.0 1.0 N C:ALA41 4.8 43.1 1.0 C8 C:SAM403 4.8 49.5 1.0 CG C:PHE40 4.8 46.0 1.0 N C:SAM403 4.9 43.7 1.0 C C:CYS38 5.0 49.1 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:41.7 occ:1.00 FE2 C:SF4401 0.0 41.7 1.0 S1 C:SF4401 2.2 43.0 1.0 S4 C:SF4401 2.3 43.9 1.0 S3 C:SF4401 2.3 42.4 1.0 SG C:CYS35 2.4 41.4 1.0 FE1 C:SF4401 2.6 42.1 1.0 FE4 C:SF4401 2.7 39.0 1.0 FE3 C:SF4401 2.7 42.5 1.0 CB C:CYS35 3.2 38.8 1.0 NH1 C:ARG136 3.6 39.8 1.0 S2 C:SF4401 3.8 45.5 1.0 CZ C:ARG136 4.1 45.2 1.0 CB C:ALA33 4.3 44.1 1.0 N C:CYS35 4.4 42.2 1.0 OXT C:SAM403 4.4 46.3 1.0 CB C:CYS38 4.4 43.2 1.0 CA C:CYS35 4.4 43.5 1.0 NE C:ARG136 4.6 46.1 1.0 SG C:CYS31 4.7 40.9 1.0 CD C:ARG136 4.7 41.6 1.0 SG C:CYS38 4.7 44.4 1.0 NH2 C:ARG136 4.8 43.7 1.0 CE C:MET37 4.8 44.8 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:42.5 occ:1.00 FE3 C:SF4401 0.0 42.5 1.0 S4 C:SF4401 2.3 43.9 1.0 S2 C:SF4401 2.3 45.5 1.0 S1 C:SF4401 2.3 43.0 1.0 N C:SAM403 2.5 43.7 1.0 OXT C:SAM403 2.5 46.3 1.0 FE2 C:SF4401 2.7 41.7 1.0 FE4 C:SF4401 2.7 39.0 1.0 FE1 C:SF4401 2.8 42.1 1.0 C C:SAM403 3.2 45.9 1.0 CA C:SAM403 3.3 44.7 1.0 SD C:SAM403 3.3 47.5 1.0 CG C:SAM403 3.6 46.6 1.0 NH1 C:ARG136 3.8 39.8 1.0 S3 C:SF4401 4.0 42.4 1.0 CB C:SAM403 4.0 45.0 1.0 CE C:SAM403 4.1 58.6 1.0 O C:GLY74 4.3 39.7 1.0 O C:SAM403 4.4 46.4 1.0 SG C:CYS31 4.6 40.9 1.0 CZ C:ARG136 4.8 45.2 1.0 C2' C:SAM403 4.9 46.5 1.0 C C:GLY74 4.9 43.2 1.0 C3' C:SAM403 5.0 49.5 1.0 SG C:CYS35 5.0 41.4 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:39.0 occ:1.00 FE4 C:SF4401 0.0 39.0 1.0 S3 C:SF4401 2.2 42.4 1.0 S1 C:SF4401 2.3 43.0 1.0 S2 C:SF4401 2.3 45.5 1.0 SG C:CYS31 2.4 40.9 1.0 FE1 C:SF4401 2.6 42.1 1.0 FE2 C:SF4401 2.7 41.7 1.0 FE3 C:SF4401 2.7 42.5 1.0 CB C:CYS31 3.3 42.4 1.0 S4 C:SF4401 3.8 43.9 1.0 N C:SAM403 4.1 43.7 1.0 CB C:ALA33 4.3 44.1 1.0 O C:PHE40 4.7 40.7 1.0 ND2 C:ASN101 4.7 37.1 1.0 CA C:CYS31 4.7 39.8 1.0 CB C:PHE40 4.7 44.1 1.0 C C:GLY74 4.7 43.2 1.0 CA C:GLY74 4.8 44.5 1.0 SG C:CYS35 4.8 41.4 1.0 C C:PHE40 4.8 43.0 1.0 N C:ALA33 4.8 43.1 1.0 O C:GLY74 4.8 39.7 1.0 SG C:CYS38 4.9 44.4 1.0 CA C:ALA33 5.0 42.6 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:51.7 occ:1.00 FE1 C:SF4402 0.0 51.7 1.0 S2 C:SF4402 2.3 53.6 1.0 S4 C:SF4402 2.3 52.4 1.0 S3 C:SF4402 2.3 54.0 1.0 SG C:CYS255 2.5 53.6 1.0 FE2 C:SF4402 2.6 54.3 1.0 FE3 C:SF4402 2.7 51.0 1.0 FE4 C:SF4402 2.7 52.9 1.0 CB C:CYS255 3.3 55.6 1.0 S1 C:SF4402 3.9 49.4 1.0 CG1 C:VAL258 4.5 51.2 1.0 CB C:ALA250 4.5 52.4 1.0 CB C:VAL257 4.5 50.7 1.0 CA C:CYS255 4.7 54.0 1.0 SG C:CYS319 5.0 55.8 1.0 SG C:CYS274 5.0 53.3 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:54.3 occ:1.00 FE2 C:SF4402 0.0 54.3 1.0 S3 C:SF4402 2.3 54.0 1.0 S1 C:SF4402 2.3 49.4 1.0 S4 C:SF4402 2.3 52.4 1.0 SG C:CYS319 2.5 55.8 1.0 FE4 C:SF4402 2.6 52.9 1.0 FE1 C:SF4402 2.6 51.7 1.0 FE3 C:SF4402 2.7 51.0 1.0 CB C:CYS319 3.2 57.6 1.0 S2 C:SF4402 3.8 53.6 1.0 CA C:GLY315 4.2 62.2 1.0 CG C:PRO278 4.5 58.4 0.8 O C:GLY315 4.6 58.6 1.0 C C:GLY315 4.6 62.4 1.0 CB C:PRO278 4.6 59.8 0.8 CA C:CYS319 4.7 63.2 1.0 CB C:CYS322 4.9 51.7 1.0 CD1 C:PHE311 4.9 59.9 1.0 SG C:CYS274 5.0 53.3 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:51.0 occ:1.00 FE3 C:SF4402 0.0 51.0 1.0 S4 C:SF4402 2.2 52.4 1.0 S2 C:SF4402 2.3 53.6 1.0 S1 C:SF4402 2.3 49.4 1.0 SG C:CYS322 2.6 51.9 1.0 FE2 C:SF4402 2.7 54.3 1.0 FE1 C:SF4402 2.7 51.7 1.0 FE4 C:SF4402 2.7 52.9 1.0 CB C:CYS322 3.2 51.7 1.0 S3 C:SF4402 3.9 54.0 1.0 CA C:CYS322 4.1 53.9 1.0 N C:ALA250 4.5 53.8 1.0 CB C:ALA326 4.6 42.8 1.0 CB C:ARG249 4.6 57.1 1.0 CB C:CYS319 4.7 57.6 1.0 CB C:ALA250 4.9 52.4 1.0 SG C:CYS274 4.9 53.3 1.0 SG C:CYS255 4.9 53.6 1.0 SG C:CYS319 4.9 55.8 1.0 CA C:ARG249 5.0 56.5 1.0 N C:SER323 5.0 46.9 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:52.9 occ:1.00 FE4 C:SF4402 0.0 52.9 1.0 S3 C:SF4402 2.3 54.0 1.0 S1 C:SF4402 2.3 49.4 1.0 S2 C:SF4402 2.3 53.6 1.0 SG C:CYS274 2.5 53.3 1.0 FE2 C:SF4402 2.6 54.3 1.0 FE1 C:SF4402 2.7 51.7 1.0 FE3 C:SF4402 2.7 51.0 1.0 CB C:CYS274 3.4 50.1 1.0 CG C:PRO278 3.9 58.4 0.8 S4 C:SF4402 3.9 52.4 1.0 CB C:CYS276 4.5 52.8 1.0 CB C:PRO278 4.7 59.8 0.8 CD C:PRO278 4.8 57.3 0.8 CA C:CYS274 4.8 55.7 1.0 SG C:CYS319 4.9 55.8 1.0 SG C:CYS255 4.9 53.6 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