Iron in PDB 7aba: The Structure of the Bottromycin Biosynthetic Protein Salcyp

The structure of The Structure of the Bottromycin Biosynthetic Protein Salcyp, PDB code: 7aba was solved by S.Adam, J.Koehnke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.82 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.448, 97.403, 93.285, 90.00, 104.58, 90.00
R / Rfree (%)	14.1 / 17.6

The binding sites of Iron atom in the The Structure of the Bottromycin Biosynthetic Protein Salcyp (pdb code 7aba). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The Structure of the Bottromycin Biosynthetic Protein Salcyp, PDB code: 7aba:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Structure of the Bottromycin Biosynthetic Protein Salcyp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure of the Bottromycin Biosynthetic Protein Salcyp within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:17.5 occ:1.00 FE A:HEC501 0.0 17.5 1.0 NB A:HEC501 2.0 4.4 1.0 ND A:HEC501 2.1 4.0 1.0 NA A:HEC501 2.1 5.2 1.0 NC A:HEC501 2.1 6.4 1.0 SG A:CYS354 2.4 7.8 1.0 C1B A:HEC501 3.0 7.2 1.0 C4B A:HEC501 3.0 9.1 1.0 C1D A:HEC501 3.1 10.3 1.0 C4D A:HEC501 3.1 7.8 1.0 C4A A:HEC501 3.1 7.8 1.0 C4C A:HEC501 3.1 7.2 1.0 C1C A:HEC501 3.1 7.6 1.0 C1A A:HEC501 3.1 7.4 1.0 HB2 A:CYS354 3.1 8.0 1.0 CB A:CYS354 3.3 6.7 1.0 CHB A:HEC501 3.4 8.6 1.0 CHD A:HEC501 3.4 9.8 1.0 CHC A:HEC501 3.4 8.1 1.0 CHA A:HEC501 3.4 12.1 1.0 HA A:CYS354 3.6 8.0 1.0 H A:GLY356 3.9 10.4 1.0 CA A:CYS354 4.1 6.7 1.0 HB1 A:ALA247 4.1 17.2 1.0 HB3 A:CYS354 4.1 8.0 1.0 C3B A:HEC501 4.3 7.1 1.0 C2B A:HEC501 4.3 4.4 1.0 HD1 A:PHE347 4.3 5.8 1.0 C2D A:HEC501 4.3 4.1 1.0 C3A A:HEC501 4.3 6.3 1.0 C3D A:HEC501 4.3 4.2 1.0 C3C A:HEC501 4.3 7.2 1.0 C2A A:HEC501 4.3 5.6 1.0 C2C A:HEC501 4.3 6.7 1.0 HHB A:HEC501 4.4 10.3 1.0 HHC A:HEC501 4.4 9.8 1.0 HHD A:HEC501 4.4 11.8 1.0 HHA A:HEC501 4.4 14.5 1.0 H A:LEU355 4.5 7.2 1.0 O A:ALA247 4.6 11.8 1.0 N A:GLY356 4.7 8.7 1.0 C A:CYS354 4.8 7.5 1.0 N A:LEU355 4.8 6.0 1.0 HA3 A:GLY356 4.9 9.6 1.0 HE1 A:MET294 5.0 17.1 1.0

Iron binding site 2 out of 2 in the The Structure of the Bottromycin Biosynthetic Protein Salcyp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Structure of the Bottromycin Biosynthetic Protein Salcyp within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:16.3 occ:1.00 FE B:HEC501 0.0 16.3 1.0 NB B:HEC501 2.0 4.5 1.0 NA B:HEC501 2.1 4.8 1.0 NC B:HEC501 2.1 4.5 1.0 ND B:HEC501 2.1 5.0 1.0 SG B:CYS354 2.4 7.4 1.0 C4B B:HEC501 3.0 7.4 1.0 C1B B:HEC501 3.0 6.5 1.0 C1C B:HEC501 3.1 6.5 1.0 C4A B:HEC501 3.1 7.7 1.0 C1D B:HEC501 3.1 7.5 1.0 C4D B:HEC501 3.1 9.0 1.0 C1A B:HEC501 3.1 6.6 1.0 C4C B:HEC501 3.1 4.7 1.0 HB2 B:CYS354 3.2 7.9 1.0 CB B:CYS354 3.4 6.6 1.0 CHC B:HEC501 3.4 10.5 1.0 CHB B:HEC501 3.4 9.1 1.0 CHA B:HEC501 3.4 6.5 1.0 CHD B:HEC501 3.5 8.5 1.0 HA B:CYS354 3.7 6.7 1.0 H B:GLY356 3.9 8.8 1.0 CA B:CYS354 4.1 5.6 1.0 HB1 B:ALA247 4.1 18.5 1.0 HB3 B:CYS354 4.2 7.9 1.0 C3B B:HEC501 4.2 4.3 1.0 C2B B:HEC501 4.3 4.1 1.0 HD1 B:PHE347 4.3 9.8 1.0 C2C B:HEC501 4.3 8.1 1.0 C3A B:HEC501 4.3 5.2 1.0 C2A B:HEC501 4.3 7.6 1.0 C3C B:HEC501 4.3 5.1 1.0 C3D B:HEC501 4.3 5.6 1.0 C2D B:HEC501 4.3 5.5 1.0 HHC B:HEC501 4.4 12.6 1.0 HHB B:HEC501 4.4 10.9 1.0 HHA B:HEC501 4.4 7.8 1.0 HHD B:HEC501 4.4 10.2 1.0 H B:LEU355 4.4 7.0 1.0 O B:ALA247 4.7 10.9 1.0 N B:GLY356 4.7 7.4 1.0 N B:LEU355 4.8 5.8 1.0 C B:CYS354 4.8 5.3 1.0 HA3 B:GLY356 4.9 9.7 1.0 HE1 B:MET294 4.9 15.6 1.0

S.Adam, J.Koehnke. The Structure of the Bottromycin Biosynthetic Protein Salcyp J.Am.Chem.Soc. 2020.
ISSN: ESSN 1520-5126
DOI: 10.1021/JACS.0C10361