Iron in PDB 2wbo: Crystal Structure of Vioc in Complex with L-Arginine

The structure of Crystal Structure of Vioc in Complex with L-Arginine, PDB code: 2wbo was solved by V.Helmetag, S.A.Samel, M.G.Thomas, M.A.Marahiel, L.-O.Essen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.03 / 1.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.630, 67.340, 62.420, 90.00, 108.83, 90.00
R / Rfree (%)	16.1 / 21.2

The binding sites of Iron atom in the Crystal Structure of Vioc in Complex with L-Arginine (pdb code 2wbo). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Vioc in Complex with L-Arginine, PDB code: 2wbo:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Vioc in Complex with L-Arginine


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 Vioc in Complex with L-Arginine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1358 b:10.9 occ:0.75 FE A:FE21358 0.0 10.9 0.8 FE A:FE21358 0.8 20.9 0.2 NE2 A:HIS316 2.0 14.3 1.0 OE1 A:GLU170 2.0 15.7 1.0 O11 A:TLA1359 2.1 17.0 0.8 NE2 A:HIS168 2.2 16.1 1.0 O1 A:TLA1359 2.7 18.9 0.8 C1 A:TLA1359 2.7 18.1 0.8 CE1 A:HIS316 2.9 13.4 1.0 CD2 A:HIS316 3.0 11.9 1.0 CE1 A:HIS168 3.0 13.8 1.0 CD A:GLU170 3.1 15.2 1.0 CD2 A:HIS168 3.2 14.1 1.0 OE2 A:GLU170 3.5 22.8 1.0 ND1 A:HIS316 4.0 14.1 1.0 CB A:ARG1360 4.0 25.3 0.2 CG A:HIS316 4.1 12.1 1.0 ND1 A:HIS168 4.2 12.8 1.0 C2 A:TLA1359 4.2 15.2 0.8 CG A:HIS168 4.2 11.7 1.0 CB A:ARG1360 4.3 21.2 0.8 CG A:GLU170 4.4 14.1 1.0 NH1 A:ARG334 4.5 21.9 1.0 O3 A:TLA1359 4.5 18.3 0.8 CB A:GLU170 4.6 12.2 1.0 C3 A:TLA1359 4.7 12.8 0.8 O A:HIS316 4.8 11.3 1.0 CA A:GLU170 4.9 11.3 1.0 CG A:ARG1360 4.9 25.3 0.2 CD2 A:LEU165 4.9 17.1 1.0 CG A:ARG1360 5.0 22.1 0.8

Iron binding site 2 out of 2 in the Crystal Structure of Vioc in Complex with L-Arginine


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 Vioc in Complex with L-Arginine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1358 b:20.9 occ:0.25 FE A:FE21358 0.0 20.9 0.2 FE A:FE21358 0.8 10.9 0.8 OE1 A:GLU170 1.9 15.7 1.0 NE2 A:HIS168 2.0 16.1 1.0 O11 A:TLA1359 2.3 17.0 0.8 NE2 A:HIS316 2.7 14.3 1.0 CD A:GLU170 2.8 15.2 1.0 CD2 A:HIS168 2.9 14.1 1.0 O1 A:TLA1359 3.0 18.9 0.8 CE1 A:HIS168 3.0 13.8 1.0 C1 A:TLA1359 3.0 18.1 0.8 OE2 A:GLU170 3.1 22.8 1.0 CB A:ARG1360 3.3 25.3 0.2 CE1 A:HIS316 3.5 13.4 1.0 CB A:ARG1360 3.5 21.2 0.8 CD2 A:HIS316 3.7 11.9 1.0 ND1 A:HIS168 4.1 12.8 1.0 CG A:HIS168 4.1 11.7 1.0 CG A:GLU170 4.2 14.1 1.0 NH1 A:ARG334 4.2 21.9 1.0 N A:ARG1360 4.3 25.1 0.2 CG A:ARG1360 4.3 25.3 0.2 CG A:ARG1360 4.3 22.1 0.8 CA A:ARG1360 4.3 24.0 0.2 N A:ARG1360 4.4 22.2 0.8 CA A:ARG1360 4.5 19.9 0.8 C2 A:TLA1359 4.5 15.2 0.8 CB A:GLU170 4.5 12.2 1.0 O A:ARG1360 4.6 26.2 0.2 ND1 A:HIS316 4.6 14.1 1.0 CA A:GLU170 4.7 11.3 1.0 CG A:HIS316 4.8 12.1 1.0 O A:ARG1360 4.8 24.8 0.8 C A:ARG1360 4.8 24.0 0.2 C A:ARG1360 4.9 19.2 0.8 CD2 A:LEU165 4.9 17.1 1.0 CD A:ARG1360 5.0 23.0 0.8

V.Helmetag, S.A.Samel, M.G.Thomas, M.A.Marahiel, L.-O.Essen. Structural Basis For the Erythro-Stereospecificity of the L-Arginine Oxygenase Vioc in Viomycin Biosynthesis. Febs J. V. 276 3669 2009.
ISSN: ISSN 1742-464X
PubMed: 19490124
DOI: 10.1111/J.1742-4658.2009.07085.X