Iron in PDB 4m2f: Crystal Structure of Non-Heme Iron Oxygenase Orfp in Complex with Fe and L-Canavanine

The structure of Crystal Structure of Non-Heme Iron Oxygenase Orfp in Complex with Fe and L-Canavanine, PDB code: 4m2f was solved by C.Y.Chang, Y.C.Liu, S.Y.Lyu, C.C.Wu, T.L.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.92
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.993, 116.608, 96.177, 90.00, 92.19, 90.00
R / Rfree (%)	20.8 / 24.8

The binding sites of Iron atom in the Crystal Structure of Non-Heme Iron Oxygenase Orfp in Complex with Fe and L-Canavanine (pdb code 4m2f). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Non-Heme Iron Oxygenase Orfp in Complex with Fe and L-Canavanine, PDB code: 4m2f:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Non-Heme Iron Oxygenase Orfp in Complex with Fe and L-Canavanine


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 Non-Heme Iron Oxygenase Orfp in Complex with Fe and L-Canavanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:42.4 occ:1.00 OE1 A:GLU156 2.1 29.7 1.0 CE1 A:HIS154 2.2 30.2 1.0 NE2 A:HIS303 2.2 29.2 1.0 O A:HOH759 2.4 50.8 1.0 NE2 A:HIS154 2.9 30.3 1.0 CD A:GLU156 3.1 29.2 1.0 CD2 A:HIS303 3.1 28.8 1.0 CE1 A:HIS303 3.2 28.0 1.0 ND1 A:HIS154 3.4 29.8 1.0 OE2 A:GLU156 3.5 31.6 1.0 CD2 A:HIS154 4.2 28.8 1.0 ND1 A:HIS303 4.3 27.4 1.0 CG A:HIS303 4.3 27.1 1.0 CG A:HIS154 4.4 28.1 1.0 CG A:GLU156 4.4 26.1 1.0 O A:HOH610 4.5 37.3 1.0 CB A:GLU156 4.6 23.9 1.0 CA A:GLU156 4.8 22.4 1.0 NH2 A:ARG321 4.8 41.7 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Non-Heme Iron Oxygenase Orfp in Complex with Fe and L-Canavanine


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 Non-Heme Iron Oxygenase Orfp in Complex with Fe and L-Canavanine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:33.7 occ:1.00 O B:HOH614 2.0 38.0 1.0 NE2 B:HIS303 2.1 24.9 1.0 OE1 B:GLU156 2.1 29.7 1.0 O B:HOH515 2.2 30.2 1.0 O B:HOH732 2.2 33.7 1.0 NE2 B:HIS154 2.3 26.9 1.0 CE1 B:HIS303 3.0 24.3 1.0 CD2 B:HIS303 3.1 25.1 1.0 CD B:GLU156 3.2 29.2 1.0 CE1 B:HIS154 3.2 26.9 1.0 CD2 B:HIS154 3.3 26.6 1.0 OE2 B:GLU156 3.5 30.7 1.0 O B:HOH562 3.8 39.2 1.0 NH2 B:ARG321 3.8 37.1 1.0 NH2 B:ARG305 4.1 42.5 1.0 ND1 B:HIS303 4.2 24.2 1.0 CG B:HIS303 4.2 24.1 1.0 ND1 B:HIS154 4.4 27.5 1.0 CG B:HIS154 4.5 25.6 1.0 CG B:GLU156 4.5 27.5 1.0 CZ B:ARG305 4.7 44.7 1.0 CB B:GLU156 4.8 26.3 1.0 NE B:ARG305 4.9 42.2 1.0 CA B:GLU156 4.9 26.3 1.0 O B:HOH624 4.9 38.0 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Non-Heme Iron Oxygenase Orfp in Complex with Fe and L-Canavanine


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 Non-Heme Iron Oxygenase Orfp in Complex with Fe and L-Canavanine within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:49.7 occ:1.00 OE1 C:GLU156 2.1 25.5 1.0 NE2 C:HIS303 2.2 26.0 1.0 NE2 C:HIS154 2.3 26.7 1.0 CE1 C:HIS154 2.9 27.4 1.0 CE1 C:HIS303 3.0 24.5 1.0 CD C:GLU156 3.2 25.8 1.0 CB C:GGB402 3.2 39.5 1.0 CD2 C:HIS303 3.3 23.8 1.0 CD2 C:HIS154 3.5 25.8 1.0 OE2 C:GLU156 3.6 27.2 1.0 NH2 C:ARG321 3.8 42.9 1.0 CG C:GGB402 3.9 42.2 1.0 ND1 C:HIS154 4.2 27.8 1.0 ND1 C:HIS303 4.2 23.3 1.0 CG C:HIS303 4.3 22.7 1.0 CG C:HIS154 4.5 25.3 1.0 CA C:GGB402 4.5 40.9 1.0 CG C:GLU156 4.5 24.5 1.0 OD C:GGB402 4.7 44.4 1.0 N C:GGB402 4.7 38.9 1.0 O C:HOH591 4.7 30.2 1.0 CZ C:ARG321 4.8 42.3 1.0 CB C:GLU156 4.8 22.7 1.0 CD2 C:LEU151 4.8 46.1 1.0 C C:GGB402 4.9 41.7 1.0 CA C:GLU156 5.0 21.5 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Non-Heme Iron Oxygenase Orfp in Complex with Fe and L-Canavanine


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 Non-Heme Iron Oxygenase Orfp in Complex with Fe and L-Canavanine within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe401 b:51.8 occ:1.00 OE1 D:GLU156 2.1 24.4 1.0 NE2 D:HIS303 2.3 29.2 1.0 NE2 D:HIS154 2.5 28.9 1.0 CD D:GLU156 3.1 25.3 1.0 CE1 D:HIS154 3.1 28.9 1.0 CE1 D:HIS303 3.1 28.5 1.0 CD2 D:HIS303 3.3 28.1 1.0 OE2 D:GLU156 3.3 26.7 1.0 CB D:GGB402 3.4 40.9 1.0 CD2 D:HIS154 3.6 28.3 1.0 OD D:GGB402 4.1 39.9 1.0 ND1 D:HIS303 4.3 28.4 1.0 ND1 D:HIS154 4.3 29.6 1.0 CG D:HIS303 4.4 28.6 1.0 CG D:GGB402 4.4 40.0 1.0 CG D:GLU156 4.4 23.4 1.0 CA D:GGB402 4.5 42.2 1.0 N D:GGB402 4.6 41.1 1.0 CG D:HIS154 4.6 27.8 1.0 CB D:GLU156 4.7 22.3 1.0 CD2 D:LEU151 4.8 41.3 1.0 O D:HOH592 4.9 34.1 1.0 NH2 D:ARG321 4.9 47.9 1.0 CA D:GLU156 5.0 21.4 1.0 C D:GGB402 5.0 43.1 1.0

C.Y.Chang, S.Y.Lyu, Y.C.Liu, N.S.Hsu, C.C.Wu, C.F.Tang, K.H.Lin, J.Y.Ho, C.J.Wu, M.D.Tsai, T.L.Li. Biosynthesis of Streptolidine Involved Two Unexpected Intermediates Produced By A Dihydroxylase and A Cyclase Through Unusual Mechanisms. Angew.Chem.Int.Ed.Engl. V. 53 1943 2014.
ISSN: ISSN 1433-7851
PubMed: 24505011
DOI: 10.1002/ANIE.201307989