Iron in PDB 7kdx: Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine

The structure of Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine, PDB code: 7kdx was solved by H.L.Knox, S.J.Booker, A.K.Boal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.35 / 1.79
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.644, 137.739, 77.914, 90, 90.47, 90
R / Rfree (%)	16.5 / 19.3

The structure of Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Cobalt	(Co)	2 atoms
Potassium	(K)	2 atoms

The binding sites of Iron atom in the Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine (pdb code 7kdx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine, PDB code: 7kdx:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:13.4 occ:1.00 FE1 A:SF4701 0.0 13.4 1.0 S4 A:SF4701 2.3 13.0 1.0 S3 A:SF4701 2.3 14.6 1.0 SG A:CYS210 2.3 13.3 1.0 S2 A:SF4701 2.3 12.1 1.0 FE2 A:SF4701 2.7 13.7 1.0 FE4 A:SF4701 2.7 12.7 1.0 FE3 A:SF4701 2.8 12.3 1.0 CB A:CYS210 3.1 9.8 1.0 NH1 A:ARG324 3.6 10.8 1.0 S1 A:SF4701 3.9 11.7 1.0 O A:MET704 3.9 14.8 1.0 N A:CYS210 4.0 15.0 1.0 CA A:CYS210 4.2 14.6 1.0 O A:HOH834 4.5 18.2 1.0 CB A:CYS213 4.6 10.7 1.0 CB A:TYR208 4.6 11.6 1.0 SG A:CYS213 4.7 12.2 1.0 SG A:CYS206 4.7 12.2 1.0 N A:MET704 4.8 14.1 1.0 CZ A:ARG324 4.8 15.1 1.0 CZ A:PHE212 4.9 13.9 1.0 CD A:LYS285 5.0 16.8 1.0 C A:MET704 5.0 12.1 1.0 N A:SER209 5.0 15.3 1.0

Iron binding site 2 out of 8 in the Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:13.7 occ:1.00 FE2 A:SF4701 0.0 13.7 1.0 SG A:CYS206 2.2 12.2 1.0 S3 A:SF4701 2.3 14.6 1.0 S4 A:SF4701 2.3 13.0 1.0 S1 A:SF4701 2.3 11.7 1.0 FE1 A:SF4701 2.7 13.4 1.0 FE4 A:SF4701 2.7 12.7 1.0 FE3 A:SF4701 2.8 12.3 1.0 CB A:CYS206 3.3 10.8 1.0 S2 A:SF4701 3.9 12.1 1.0 N A:MET704 4.1 14.1 1.0 CB A:TYR208 4.2 11.6 1.0 CD2 A:TYR208 4.4 15.5 1.0 ND2 A:ASN252 4.4 9.6 1.0 SG A:CYS213 4.7 12.2 1.0 CA A:CYS206 4.7 11.7 1.0 CB A:ALA251 4.8 11.8 1.0 SG A:CYS210 4.8 13.3 1.0 CG A:TYR208 4.8 16.1 1.0 O A:MET704 4.8 14.8 1.0 CG2 A:THR219 4.9 11.4 1.0 N A:TYR208 4.9 16.8 1.0 CA A:TYR208 4.9 15.2 1.0 C A:TYR208 4.9 13.3 1.0

Iron binding site 3 out of 8 in the Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:12.3 occ:1.00 FE3 A:SF4701 0.0 12.3 1.0 S2 A:SF4701 2.3 12.1 1.0 S1 A:SF4701 2.3 11.7 1.0 N A:MET704 2.3 14.1 1.0 O A:MET704 2.4 14.8 1.0 S4 A:SF4701 2.4 13.0 1.0 SD A:MET704 2.7 12.0 1.0 FE4 A:SF4701 2.8 12.7 1.0 FE1 A:SF4701 2.8 13.4 1.0 FE2 A:SF4701 2.8 13.7 1.0 C A:MET704 3.1 12.1 1.0 CA A:MET704 3.2 8.1 1.0 CE A:MET704 3.7 11.0 1.0 CG A:MET704 3.7 11.4 1.0 CB A:MET704 3.9 9.3 1.0 S3 A:SF4701 4.0 14.6 1.0 NH1 A:ARG324 4.2 10.8 1.0 OXT A:MET704 4.3 14.4 1.0 SG A:CYS206 4.7 12.2 1.0 O A:ALA251 4.8 11.2 1.0 SG A:CYS213 4.9 12.2 1.0 SG A:CYS210 4.9 13.3 1.0 OD1 A:ASN252 4.9 13.6 1.0

Iron binding site 4 out of 8 in the Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:12.7 occ:1.00 FE4 A:SF4701 0.0 12.7 1.0 SG A:CYS213 2.3 12.2 1.0 S1 A:SF4701 2.3 11.7 1.0 S3 A:SF4701 2.3 14.6 1.0 S2 A:SF4701 2.3 12.1 1.0 FE2 A:SF4701 2.7 13.7 1.0 FE1 A:SF4701 2.7 13.4 1.0 FE3 A:SF4701 2.8 12.3 1.0 CB A:CYS213 3.1 10.7 1.0 S4 A:SF4701 3.9 13.0 1.0 SD A:MET704 4.2 12.0 1.0 CB A:TRP215 4.3 11.3 1.0 CG2 A:THR219 4.6 11.4 1.0 CB A:CYS210 4.6 9.8 1.0 CA A:CYS213 4.6 10.7 1.0 SG A:CYS210 4.7 13.3 1.0 SG A:CYS206 4.8 12.2 1.0 CE A:MET704 4.8 11.0 1.0 O A:MET704 4.9 14.8 1.0 CG A:TRP215 4.9 12.4 1.0 CE3 A:TRP215 4.9 14.3 1.0 N A:MET704 4.9 14.1 1.0 CE1 A:PHE212 5.0 13.3 1.0

Iron binding site 5 out of 8 in the Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1903 b:13.4 occ:1.00 FE1 B:SF41903 0.0 13.4 1.0 S3 B:SF41903 2.3 12.3 1.0 SG B:CYS210 2.3 13.7 1.0 S4 B:SF41903 2.3 11.1 1.0 S2 B:SF41903 2.3 13.7 1.0 FE4 B:SF41903 2.7 13.2 1.0 FE3 B:SF41903 2.7 12.8 1.0 FE2 B:SF41903 2.8 12.8 1.0 CB B:CYS210 3.1 13.8 1.0 NH1 B:ARG324 3.6 9.4 1.0 O B:MET1905 3.9 13.9 1.0 S1 B:SF41903 3.9 11.4 1.0 N B:CYS210 4.1 14.6 1.0 CA B:CYS210 4.2 14.9 1.0 O B:HOH2139 4.6 15.8 1.0 CB B:TYR208 4.6 12.5 1.0 CB B:CYS213 4.6 13.2 1.0 SG B:CYS213 4.7 12.9 1.0 SG B:CYS206 4.7 12.9 1.0 N B:MET1905 4.8 11.4 1.0 CZ B:ARG324 4.8 13.4 1.0 CZ B:PHE212 4.9 14.5 1.0 C B:MET1905 5.0 12.0 1.0

Iron binding site 6 out of 8 in the Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1903 b:12.8 occ:1.00 FE2 B:SF41903 0.0 12.8 1.0 S4 B:SF41903 2.3 11.1 1.0 O B:MET1905 2.3 13.9 1.0 S3 B:SF41903 2.4 12.3 1.0 N B:MET1905 2.4 11.4 1.0 S1 B:SF41903 2.4 11.4 1.0 SD B:MET1905 2.8 11.7 1.0 FE1 B:SF41903 2.8 13.4 1.0 FE3 B:SF41903 2.8 12.8 1.0 FE4 B:SF41903 2.8 13.2 1.0 C B:MET1905 3.1 12.0 1.0 CA B:MET1905 3.2 10.1 1.0 CG B:MET1905 3.7 9.8 1.0 CE B:MET1905 3.7 10.3 1.0 CB B:MET1905 3.9 10.6 1.0 S2 B:SF41903 4.0 13.7 1.0 NH1 B:ARG324 4.1 9.4 1.0 OXT B:MET1905 4.3 11.9 1.0 SG B:CYS206 4.7 12.9 1.0 O B:ALA251 4.8 8.8 1.0 SG B:CYS210 4.8 13.7 1.0 SG B:CYS213 4.9 12.9 1.0 OD1 B:ASN252 4.9 11.7 1.0

Iron binding site 7 out of 8 in the Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1903 b:12.8 occ:1.00 FE3 B:SF41903 0.0 12.8 1.0 S1 B:SF41903 2.3 11.4 1.0 S2 B:SF41903 2.3 13.7 1.0 SG B:CYS213 2.3 12.9 1.0 S4 B:SF41903 2.3 11.1 1.0 FE4 B:SF41903 2.7 13.2 1.0 FE1 B:SF41903 2.7 13.4 1.0 FE2 B:SF41903 2.8 12.8 1.0 CB B:CYS213 3.1 13.2 1.0 S3 B:SF41903 3.9 12.3 1.0 SD B:MET1905 4.2 11.7 1.0 CB B:TRP215 4.3 10.9 1.0 CG2 B:THR219 4.5 13.2 1.0 CB B:CYS210 4.6 13.8 1.0 CA B:CYS213 4.6 14.2 1.0 SG B:CYS210 4.7 13.7 1.0 SG B:CYS206 4.8 12.9 1.0 CE B:MET1905 4.8 10.3 1.0 O B:MET1905 4.9 13.9 1.0 CE1 B:PHE212 4.9 9.8 1.0 CG B:TRP215 4.9 9.7 1.0 CE3 B:TRP215 4.9 9.9 1.0 N B:MET1905 5.0 11.4 1.0

Iron binding site 8 out of 8 in the Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Streptomyces Tokunonesis Tokk with Hydroxycobalamin, 5'-Deoxyadenosine, and Methionine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1903 b:13.2 occ:1.00 FE4 B:SF41903 0.0 13.2 1.0 SG B:CYS206 2.2 12.9 1.0 S2 B:SF41903 2.2 13.7 1.0 S1 B:SF41903 2.3 11.4 1.0 S3 B:SF41903 2.3 12.3 1.0 FE3 B:SF41903 2.7 12.8 1.0 FE1 B:SF41903 2.7 13.4 1.0 FE2 B:SF41903 2.8 12.8 1.0 CB B:CYS206 3.3 8.0 1.0 S4 B:SF41903 3.9 11.1 1.0 N B:MET1905 4.1 11.4 1.0 CB B:TYR208 4.2 12.5 1.0 CD2 B:TYR208 4.3 12.3 1.0 ND2 B:ASN252 4.5 10.2 1.0 CA B:CYS206 4.7 10.8 1.0 SG B:CYS213 4.8 12.9 1.0 CG B:TYR208 4.8 14.6 1.0 N B:TYR208 4.8 14.4 1.0 SG B:CYS210 4.8 13.7 1.0 O B:MET1905 4.8 13.9 1.0 CA B:TYR208 4.8 13.2 1.0 CB B:ALA251 4.9 10.2 1.0 CG2 B:THR219 4.9 13.2 1.0 C B:TYR208 4.9 16.5 1.0

H.L.Knox, E.K.Sinner, C.A.Townsend, A.K.Boal, S.J.Booker. Structure of A B 12 -Dependent Radical Sam Enzyme in Carbapenem Biosynthesis. Nature V. 602 343 2022.
ISSN: ESSN 1476-4687
PubMed: 35110734
DOI: 10.1038/S41586-021-04392-4