Iron in PDB 4m2g: Crystal Structure of Non-Heme Iron Oxygenase Orfp in Complex with Fe, Succinate, and (3R,4R)-Dihydroxy-L-Arg

The structure of Crystal Structure of Non-Heme Iron Oxygenase Orfp in Complex with Fe, Succinate, and (3R,4R)-Dihydroxy-L-Arg, PDB code: 4m2g 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)	26.15 / 2.39
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.287, 116.211, 96.163, 90.00, 91.66, 90.00
R / Rfree (%)	21.4 / 27.1

The binding sites of Iron atom in the Crystal Structure of Non-Heme Iron Oxygenase Orfp in Complex with Fe, Succinate, and (3R,4R)-Dihydroxy-L-Arg (pdb code 4m2g). 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, Succinate, and (3R,4R)-Dihydroxy-L-Arg, PDB code: 4m2g:
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, Succinate, and (3R,4R)-Dihydroxy-L-Arg


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, Succinate, and (3R,4R)-Dihydroxy-L-Arg within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:59.6 occ:1.00 OE1 A:GLU156 2.3 49.6 1.0 NE2 A:HIS154 2.3 53.7 1.0 CE1 A:HIS154 2.9 53.8 1.0 O A:HOH617 2.9 42.5 1.0 CD A:GLU156 3.0 49.9 1.0 OE2 A:GLU156 3.1 56.2 1.0 NE2 A:HIS303 3.2 37.2 1.0 O4 A:SIN402 3.2 62.0 1.0 CD2 A:HIS154 3.6 52.8 1.0 CE1 A:HIS303 4.1 36.3 1.0 ND1 A:HIS154 4.1 51.9 1.0 CD2 A:HIS303 4.2 36.4 1.0 C4 A:SIN402 4.2 59.9 1.0 O A:HOH569 4.4 44.7 1.0 O3 A:SIN402 4.4 61.3 1.0 NH2 A:ARG321 4.5 54.3 1.0 CG A:HIS154 4.5 49.6 1.0 CG A:GLU156 4.5 47.7 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Non-Heme Iron Oxygenase Orfp in Complex with Fe, Succinate, and (3R,4R)-Dihydroxy-L-Arg


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, Succinate, and (3R,4R)-Dihydroxy-L-Arg within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:86.0 occ:1.00 OE1 B:GLU156 2.3 53.3 1.0 NE2 B:HIS154 2.6 57.0 1.0 NE2 B:HIS303 2.8 50.2 1.0 NH2 B:ARG321 2.9 71.1 1.0 CD B:GLU156 3.0 50.9 1.0 CE1 B:HIS154 3.1 56.1 1.0 OE2 B:GLU156 3.1 51.3 1.0 CE1 B:HIS303 3.6 48.5 1.0 CD2 B:HIS303 3.8 47.3 1.0 CD2 B:HIS154 3.9 55.5 1.0 CZ B:ARG321 4.1 70.7 1.0 ND1 B:HIS154 4.4 54.5 1.0 O2 B:SIN402 4.4 63.0 1.0 CG B:GLU156 4.5 48.3 1.0 O1 B:SIN402 4.6 62.3 1.0 C1 B:SIN402 4.6 63.1 1.0 NH1 B:ARG321 4.8 72.2 1.0 CG B:HIS154 4.8 52.9 1.0 ND1 B:HIS303 4.8 45.9 1.0 CG B:HIS303 4.9 44.8 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Non-Heme Iron Oxygenase Orfp in Complex with Fe, Succinate, and (3R,4R)-Dihydroxy-L-Arg


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, Succinate, and (3R,4R)-Dihydroxy-L-Arg within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:73.5 occ:1.00 OE1 C:GLU156 2.2 50.7 1.0 OG C:2OR402 2.2 76.2 1.0 NE2 C:HIS303 2.4 36.0 1.0 O2 C:SIN403 2.4 69.5 1.0 OB C:2OR402 2.5 79.8 1.0 NE2 C:HIS154 2.7 51.2 1.0 CE1 C:HIS154 3.1 50.1 1.0 CD C:GLU156 3.1 48.8 1.0 CE1 C:HIS303 3.2 35.8 1.0 C1 C:SIN403 3.3 65.6 1.0 NH2 C:ARG321 3.4 56.5 1.0 OE2 C:GLU156 3.4 51.2 1.0 O C:2OR402 3.4 96.2 1.0 CG C:2OR402 3.4 80.0 1.0 O1 C:SIN403 3.4 68.2 1.0 CB C:2OR402 3.5 84.8 1.0 CD2 C:HIS303 3.5 35.8 1.0 CD2 C:HIS154 3.9 47.7 1.0 ND1 C:HIS303 4.4 33.8 1.0 ND1 C:HIS154 4.4 50.1 1.0 CZ C:ARG321 4.4 56.8 1.0 C C:2OR402 4.4 94.0 1.0 CG C:GLU156 4.5 46.3 1.0 CD C:2OR402 4.5 76.7 1.0 CG C:HIS303 4.6 33.9 1.0 CA C:2OR402 4.6 91.7 1.0 C2 C:SIN403 4.7 61.5 1.0 CG C:HIS154 4.8 46.0 1.0 CB C:GLU156 4.8 44.4 1.0 NE C:2OR402 4.9 74.0 1.0 CD2 C:LEU151 5.0 64.8 1.0 CA C:GLU156 5.0 42.9 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Non-Heme Iron Oxygenase Orfp in Complex with Fe, Succinate, and (3R,4R)-Dihydroxy-L-Arg


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, Succinate, and (3R,4R)-Dihydroxy-L-Arg within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe401 b:76.9 occ:1.00 OB D:2OR402 2.0 74.8 1.0 O2 D:SIN403 2.1 83.9 1.0 OE1 D:GLU156 2.2 47.9 1.0 NE2 D:HIS303 2.6 53.3 1.0 NE2 D:HIS154 2.7 52.8 1.0 OG D:2OR402 2.8 80.7 1.0 CB D:2OR402 3.1 82.2 1.0 CE1 D:HIS154 3.1 53.1 1.0 CD D:GLU156 3.1 49.3 1.0 C1 D:SIN403 3.3 82.7 1.0 OE2 D:GLU156 3.4 52.4 1.0 CG D:2OR402 3.5 80.5 1.0 CE1 D:HIS303 3.5 53.9 1.0 CD2 D:HIS303 3.5 53.6 1.0 CD2 D:HIS154 3.9 51.6 1.0 O1 D:SIN403 4.0 78.9 1.0 C2 D:SIN403 4.3 78.6 1.0 ND1 D:HIS154 4.4 51.5 1.0 CA D:2OR402 4.4 85.4 1.0 CG D:GLU156 4.5 47.4 1.0 ND1 D:HIS303 4.6 52.8 1.0 CG D:HIS303 4.7 53.8 1.0 C D:2OR402 4.7 88.1 1.0 CD D:2OR402 4.7 80.3 1.0 CG D:HIS154 4.8 49.8 1.0 CB D:GLU156 4.9 46.1 1.0 N D:2OR402 4.9 86.5 1.0 O D:2OR402 5.0 89.2 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