Iron in PDB 5vts: Dehaloperoxidase B Y28F Mutant

The structure of Dehaloperoxidase B Y28F Mutant, PDB code: 5vts 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)	30.28 / 1.57
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.736, 68.221, 67.569, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 18.8

The binding sites of Iron atom in the Dehaloperoxidase B Y28F Mutant (pdb code 5vts). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Dehaloperoxidase B Y28F Mutant, PDB code: 5vts:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Dehaloperoxidase B Y28F Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Dehaloperoxidase B Y28F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:17.1 occ:1.00 FE A:HEM201 0.0 17.1 1.0 NB A:HEM201 2.0 15.1 1.0 NC A:HEM201 2.0 16.8 1.0 ND A:HEM201 2.0 18.4 1.0 NA A:HEM201 2.1 16.8 1.0 NE2 A:HIS89 2.2 16.9 1.0 O1 A:OXY202 2.3 31.0 1.0 C1C A:HEM201 3.0 16.9 1.0 C1D A:HEM201 3.0 18.5 1.0 C4B A:HEM201 3.0 15.8 1.0 C4C A:HEM201 3.1 18.3 1.0 C1B A:HEM201 3.1 13.6 1.0 C4D A:HEM201 3.1 19.5 1.0 C4A A:HEM201 3.1 16.4 1.0 C1A A:HEM201 3.1 18.2 1.0 CE1 A:HIS89 3.2 17.2 1.0 CD2 A:HIS89 3.2 17.6 1.0 CHD A:HEM201 3.4 18.2 1.0 CHC A:HEM201 3.4 15.8 1.0 O2 A:OXY202 3.4 32.8 1.0 CHB A:HEM201 3.4 14.3 1.0 CHA A:HEM201 3.5 18.3 1.0 C2D A:HEM201 4.3 19.8 1.0 C2C A:HEM201 4.3 17.2 1.0 C3C A:HEM201 4.3 19.5 1.0 ND1 A:HIS89 4.3 17.0 1.0 C3B A:HEM201 4.3 14.0 1.0 C3D A:HEM201 4.3 20.2 1.0 C2B A:HEM201 4.3 13.9 1.0 C3A A:HEM201 4.3 16.8 1.0 CG A:HIS89 4.3 18.0 1.0 C2A A:HEM201 4.3 18.5 1.0 CG2 A:VAL59 4.4 14.7 1.0 CE1 A:HIS55 4.6 17.0 1.0 CE A:MET86 4.9 22.9 1.0

Iron binding site 2 out of 2 in the Dehaloperoxidase B Y28F Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Dehaloperoxidase B Y28F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:15.6 occ:1.00 FE B:HEM201 0.0 15.6 1.0 ND B:HEM201 2.0 15.5 1.0 NB B:HEM201 2.1 14.8 1.0 NC B:HEM201 2.1 15.2 1.0 NA B:HEM201 2.1 15.2 1.0 NE2 B:HIS89 2.2 14.3 1.0 O1 B:OXY204 2.3 16.9 1.0 C1D B:HEM201 3.0 17.1 1.0 C1C B:HEM201 3.1 14.9 1.0 C4D B:HEM201 3.1 16.9 1.0 C4C B:HEM201 3.1 15.7 1.0 C1B B:HEM201 3.1 14.2 1.0 C4B B:HEM201 3.1 14.5 1.0 C4A B:HEM201 3.1 15.2 1.0 C1A B:HEM201 3.1 17.0 1.0 CD2 B:HIS89 3.1 16.1 1.0 CE1 B:HIS89 3.2 15.7 1.0 CHD B:HEM201 3.4 16.7 1.0 CHC B:HEM201 3.4 14.8 1.0 CHB B:HEM201 3.4 14.1 1.0 CHA B:HEM201 3.5 16.8 1.0 O2 B:OXY204 3.5 20.5 1.0 C2D B:HEM201 4.3 17.7 1.0 C3D B:HEM201 4.3 19.6 1.0 C2C B:HEM201 4.3 16.1 1.0 C3B B:HEM201 4.3 14.0 1.0 C3C B:HEM201 4.3 16.1 1.0 C2B B:HEM201 4.3 12.5 1.0 C2A B:HEM201 4.3 18.5 1.0 C3A B:HEM201 4.3 17.0 1.0 ND1 B:HIS89 4.3 16.2 1.0 CG B:HIS89 4.3 18.0 1.0 CG2 B:VAL59 4.5 11.4 1.0 CE1 B:HIS55 4.8 16.1 1.0 CE B:MET86 4.9 18.6 1.0 CG1 B:VAL59 4.9 13.2 1.0

L.M.Carey, L.M.Carey, R.A.Ghiladi. N/A N/A.