Iron in PDB 4b2n: Latex Oxygenase Roxa

The structure of Latex Oxygenase Roxa, PDB code: 4b2n was solved by J.Seidel, G.Schmitt, M.Hoffmann, D.Jendrossek, O.Einsle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.80 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.368, 97.106, 101.050, 90.00, 98.39, 90.00
R / Rfree (%)	16.8 / 22

The binding sites of Iron atom in the Latex Oxygenase Roxa (pdb code 4b2n). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Latex Oxygenase Roxa, PDB code: 4b2n:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Latex Oxygenase Roxa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Latex Oxygenase Roxa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:12.7 occ:1.00 FE A:HEC700 0.0 12.7 1.0 O1 A:OXY1663 1.8 20.0 1.0 NA A:HEC700 1.9 12.5 1.0 NC A:HEC700 2.0 12.7 1.0 NE2 A:HIS195 2.0 12.2 1.0 ND A:HEC700 2.0 12.6 1.0 NB A:HEC700 2.0 12.5 1.0 O2 A:OXY1663 2.9 30.0 1.0 CD2 A:HIS195 3.0 11.3 1.0 C1D A:HEC700 3.0 12.8 1.0 C4C A:HEC700 3.0 12.6 1.0 C1A A:HEC700 3.0 12.8 1.0 C4D A:HEC700 3.0 12.3 1.0 CE1 A:HIS195 3.0 12.3 1.0 C4B A:HEC700 3.1 13.6 1.0 C1B A:HEC700 3.1 13.0 1.0 C4A A:HEC700 3.1 12.9 1.0 C1C A:HEC700 3.1 13.2 1.0 CHD A:HEC700 3.4 12.7 1.0 CHA A:HEC700 3.5 12.2 1.0 CHB A:HEC700 3.5 12.2 1.0 CHC A:HEC700 3.5 12.8 1.0 CG A:HIS195 4.1 12.3 1.0 ND1 A:HIS195 4.2 12.7 1.0 C2D A:HEC700 4.3 12.3 1.0 C2A A:HEC700 4.3 12.9 1.0 C3D A:HEC700 4.3 12.8 1.0 C3C A:HEC700 4.3 13.1 1.0 C3A A:HEC700 4.3 12.4 1.0 C2C A:HEC700 4.4 13.6 1.0 O A:HOH2579 4.4 22.5 1.0 C3B A:HEC700 4.4 11.6 1.0 C2B A:HEC700 4.4 12.4 1.0 CE2 A:PHE317 5.0 20.0 1.0

Iron binding site 2 out of 4 in the Latex Oxygenase Roxa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Latex Oxygenase Roxa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:18.5 occ:1.00 FE A:HEC701 0.0 18.5 1.0 NC A:HEC701 1.9 19.0 1.0 NE2 A:HIS641 2.0 19.8 1.0 ND A:HEC701 2.0 17.4 1.0 NE2 A:HIS394 2.0 16.0 1.0 NA A:HEC701 2.0 18.6 1.0 NB A:HEC701 2.2 19.5 1.0 CD2 A:HIS641 2.9 19.1 1.0 C1D A:HEC701 3.0 17.1 1.0 C4C A:HEC701 3.0 19.5 1.0 CD2 A:HIS394 3.0 16.6 1.0 CE1 A:HIS641 3.0 19.6 1.0 C1C A:HEC701 3.0 19.1 1.0 CE1 A:HIS394 3.0 16.0 1.0 C4D A:HEC701 3.0 17.5 1.0 C1A A:HEC701 3.1 18.2 1.0 C4A A:HEC701 3.1 18.1 1.0 C4B A:HEC701 3.1 19.1 1.0 C1B A:HEC701 3.2 18.3 1.0 CHD A:HEC701 3.4 17.7 1.0 CHC A:HEC701 3.4 18.4 1.0 CHA A:HEC701 3.5 16.8 1.0 CHB A:HEC701 3.6 17.7 1.0 CG A:HIS641 4.1 19.9 1.0 ND1 A:HIS641 4.1 19.4 1.0 ND1 A:HIS394 4.2 16.1 1.0 CG A:HIS394 4.2 17.3 1.0 C3C A:HEC701 4.3 19.0 1.0 C2C A:HEC701 4.3 19.6 1.0 C2D A:HEC701 4.3 17.1 1.0 C2A A:HEC701 4.3 17.2 1.0 C3D A:HEC701 4.3 16.7 1.0 C3A A:HEC701 4.4 18.3 1.0 C3B A:HEC701 4.5 18.7 1.0 C2B A:HEC701 4.5 19.5 1.0 CE1 A:PHE643 4.7 22.0 1.0 CZ A:PHE643 4.9 18.5 1.0

Iron binding site 3 out of 4 in the Latex Oxygenase Roxa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Latex Oxygenase Roxa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe700 b:14.7 occ:1.00 FE B:HEC700 0.0 14.7 1.0 NA B:HEC700 1.9 14.0 1.0 NC B:HEC700 2.0 13.9 1.0 O1 B:OXY1663 2.0 26.0 1.0 NE2 B:HIS195 2.0 13.9 1.0 NB B:HEC700 2.1 14.2 1.0 ND B:HEC700 2.1 14.8 1.0 CD2 B:HIS195 3.0 12.5 1.0 C4A B:HEC700 3.0 13.8 1.0 C1A B:HEC700 3.0 14.6 1.0 C4C B:HEC700 3.0 13.4 1.0 C1D B:HEC700 3.1 14.9 1.0 C1B B:HEC700 3.1 13.9 1.0 CE1 B:HIS195 3.1 12.0 1.0 O2 B:OXY1663 3.1 35.6 1.0 C4B B:HEC700 3.1 15.2 1.0 C1C B:HEC700 3.1 14.8 1.0 C4D B:HEC700 3.1 14.1 1.0 CHB B:HEC700 3.4 12.8 1.0 CHA B:HEC700 3.5 15.1 1.0 CHD B:HEC700 3.5 13.7 1.0 CHC B:HEC700 3.5 15.5 1.0 CG B:HIS195 4.2 12.8 1.0 ND1 B:HIS195 4.2 12.9 1.0 O B:HOH2539 4.3 21.5 1.0 C3C B:HEC700 4.3 13.4 1.0 C2A B:HEC700 4.3 13.3 1.0 C3A B:HEC700 4.3 13.1 1.0 C2C B:HEC700 4.4 14.5 1.0 C2D B:HEC700 4.4 15.4 1.0 C2B B:HEC700 4.4 13.7 1.0 C3B B:HEC700 4.4 14.0 1.0 C3D B:HEC700 4.4 15.4 1.0 NE1 B:TRP291 5.0 14.0 1.0 CE2 B:PHE317 5.0 21.2 1.0

Iron binding site 4 out of 4 in the Latex Oxygenase Roxa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Latex Oxygenase Roxa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:22.6 occ:1.00 FE B:HEC701 0.0 22.6 1.0 NE2 B:HIS394 1.9 22.9 1.0 NA B:HEC701 2.0 21.1 1.0 NC B:HEC701 2.0 22.8 1.0 NB B:HEC701 2.1 23.0 1.0 NE2 B:HIS641 2.1 21.9 1.0 ND B:HEC701 2.1 22.1 1.0 CE1 B:HIS394 2.9 21.7 1.0 CD2 B:HIS394 2.9 22.6 1.0 C4A B:HEC701 3.0 21.0 1.0 CD2 B:HIS641 3.1 22.4 1.0 C4C B:HEC701 3.1 22.1 1.0 C1C B:HEC701 3.1 23.6 1.0 C4B B:HEC701 3.1 24.0 1.0 C1A B:HEC701 3.1 20.5 1.0 C1B B:HEC701 3.1 21.9 1.0 C1D B:HEC701 3.1 20.2 1.0 CE1 B:HIS641 3.1 21.8 1.0 C4D B:HEC701 3.1 20.2 1.0 CHC B:HEC701 3.4 23.7 1.0 CHB B:HEC701 3.4 19.9 1.0 CHD B:HEC701 3.5 20.5 1.0 CHA B:HEC701 3.5 20.0 1.0 ND1 B:HIS394 4.0 19.8 1.0 CG B:HIS394 4.1 22.0 1.0 ND1 B:HIS641 4.2 21.8 1.0 CG B:HIS641 4.2 21.6 1.0 C3C B:HEC701 4.3 22.4 1.0 C3A B:HEC701 4.3 20.7 1.0 C2A B:HEC701 4.3 20.3 1.0 C3B B:HEC701 4.4 24.1 1.0 C2C B:HEC701 4.4 23.7 1.0 C2B B:HEC701 4.4 22.4 1.0 C2D B:HEC701 4.4 19.5 1.0 C3D B:HEC701 4.5 20.2 1.0 CE1 B:PHE643 4.8 27.2 1.0

J.Seidel, G.Schmitt, M.Hoffmann, D.Jendrossek, O.Einsle. Structure of the Processive Rubber Oxygenase Roxa From Xanthomonas Sp. Proc. Natl. Acad. Sci. V. 110 13833 2013U.S.A..
ISSN: ESSN 1091-6490
PubMed: 23922395
DOI: 10.1073/PNAS.1305560110