Iron in PDB 7kfm: Room Temperature Oxyferrous Dehaloperoxidase B

The structure of Room Temperature Oxyferrous Dehaloperoxidase B, PDB code: 7kfm was solved by L.M.Carey, R.A.Ghiladi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.75 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.976, 66.883, 69.156, 90, 90, 90
R / Rfree (%)	16.5 / 19.4

The binding sites of Iron atom in the Room Temperature Oxyferrous Dehaloperoxidase B (pdb code 7kfm). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Room Temperature Oxyferrous Dehaloperoxidase B, PDB code: 7kfm:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Room Temperature Oxyferrous Dehaloperoxidase B


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Room Temperature Oxyferrous Dehaloperoxidase B within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:25.7 occ:1.00 FE A:HEM201 0.0 25.7 1.0 NA A:HEM201 2.0 26.1 1.0 NC A:HEM201 2.0 26.2 1.0 ND A:HEM201 2.1 26.1 1.0 NB A:HEM201 2.1 21.3 1.0 OTT A:PG0204 2.2 25.6 0.7 NE2 A:HIS89 2.3 25.9 1.0 O1 A:OXY203 2.4 26.7 0.3 C1 A:PG0204 2.8 33.2 0.7 C1A A:HEM201 3.0 33.3 1.0 C4A A:HEM201 3.0 28.7 1.0 C4D A:HEM201 3.1 32.1 1.0 C4C A:HEM201 3.1 27.6 1.0 C1D A:HEM201 3.1 31.5 1.0 C1C A:HEM201 3.1 22.9 1.0 C4B A:HEM201 3.1 22.9 1.0 C1B A:HEM201 3.1 23.8 1.0 CD2 A:HIS89 3.3 31.6 1.0 CE1 A:HIS89 3.3 27.3 1.0 CHA A:HEM201 3.4 34.5 1.0 CHB A:HEM201 3.4 21.5 1.0 CHD A:HEM201 3.4 27.1 1.0 CHC A:HEM201 3.5 24.8 1.0 O2 A:OXY203 3.5 29.8 0.3 C2 A:PG0204 4.1 31.1 0.7 C2A A:HEM201 4.2 33.7 1.0 C3A A:HEM201 4.2 32.5 1.0 C3D A:HEM201 4.3 29.8 1.0 C2D A:HEM201 4.3 26.5 1.0 C3C A:HEM201 4.3 25.8 1.0 C2C A:HEM201 4.3 23.3 1.0 C3B A:HEM201 4.3 20.1 1.0 C2B A:HEM201 4.3 19.7 1.0 ND1 A:HIS89 4.4 32.6 1.0 CG A:HIS89 4.4 29.1 1.0 O1 A:PG0204 4.5 40.4 0.7 CG2 A:VAL59 4.6 28.8 1.0 CG1 A:VAL59 4.7 34.3 1.0 C3 A:PG0204 4.8 33.1 0.7 CE A:MET86 5.0 33.7 1.0

Iron binding site 2 out of 2 in the Room Temperature Oxyferrous Dehaloperoxidase B


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Room Temperature Oxyferrous Dehaloperoxidase B within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:43.4 occ:1.00 FE B:HEM201 0.0 43.4 1.0 ND B:HEM201 1.9 31.2 1.0 NA B:HEM201 2.0 39.2 1.0 NB B:HEM201 2.0 22.4 1.0 NC B:HEM201 2.1 38.7 1.0 NE2 B:HIS55 2.4 29.5 1.0 NE2 B:HIS89 2.6 40.8 1.0 C1D B:HEM201 2.9 38.8 1.0 C4D B:HEM201 3.0 38.4 1.0 C4A B:HEM201 3.0 34.3 1.0 C1B B:HEM201 3.0 38.7 1.0 C4C B:HEM201 3.0 37.2 1.0 C1A B:HEM201 3.1 48.1 1.0 C4B B:HEM201 3.2 33.1 1.0 C1C B:HEM201 3.2 34.5 1.0 CD2 B:HIS89 3.2 47.1 1.0 CE1 B:HIS55 3.2 39.7 1.0 CHD B:HEM201 3.3 40.7 1.0 CHB B:HEM201 3.4 32.9 1.0 CHA B:HEM201 3.4 43.8 1.0 CD2 B:HIS55 3.5 32.3 1.0 CHC B:HEM201 3.6 46.0 1.0 CE1 B:HIS89 3.8 48.0 1.0 C2D B:HEM201 4.1 44.5 1.0 C3D B:HEM201 4.2 44.0 1.0 C3A B:HEM201 4.2 36.1 1.0 C2A B:HEM201 4.3 64.9 1.0 C2B B:HEM201 4.3 34.6 1.0 C3C B:HEM201 4.3 49.3 1.0 C3B B:HEM201 4.3 41.0 1.0 C2C B:HEM201 4.4 39.7 1.0 ND1 B:HIS55 4.4 23.7 1.0 CG B:HIS89 4.5 61.9 1.0 CG2 B:VAL59 4.5 24.2 1.0 CG B:HIS55 4.6 27.3 1.0 ND1 B:HIS89 4.7 50.0 1.0

L.M.Carey, R.A.Ghiladi. Room Temperature Oxyferrous Dehaloperoxidase B To Be Published.