Iron in PDB 5vtt: Dehaloperoxidase B Y38F Mutant

The structure of Dehaloperoxidase B Y38F Mutant, PDB code: 5vtt 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)	30.29 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.663, 67.689, 67.862, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 21.9

The binding sites of Iron atom in the Dehaloperoxidase B Y38F Mutant (pdb code 5vtt). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Dehaloperoxidase B Y38F Mutant, PDB code: 5vtt:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Dehaloperoxidase B Y38F 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 Y38F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:18.7 occ:0.37 FE A:HEM201 0.0 18.7 0.4 FE A:HEM201 0.0 18.7 0.6 NC A:HEM201 2.0 18.3 0.6 NC A:HEM201 2.0 18.3 0.4 NA A:HEM201 2.0 17.1 0.4 ND A:HEM201 2.0 19.6 0.4 NA A:HEM201 2.1 17.0 0.6 ND A:HEM201 2.1 19.6 0.6 NB A:HEM201 2.1 16.8 0.6 NB A:HEM201 2.1 16.8 0.4 NE2 A:HIS89 2.4 18.1 1.0 O2 A:OXY202 2.5 21.2 1.0 C1C A:HEM201 3.0 18.7 0.6 C1A A:HEM201 3.0 20.1 0.4 C1C A:HEM201 3.0 18.7 0.4 C4D A:HEM201 3.1 21.6 0.4 C4C A:HEM201 3.1 20.9 0.6 C1A A:HEM201 3.1 20.1 0.6 C4D A:HEM201 3.1 21.6 0.6 C4C A:HEM201 3.1 20.9 0.4 C1D A:HEM201 3.1 23.2 0.4 C4B A:HEM201 3.1 18.5 0.6 C1D A:HEM201 3.1 23.2 0.6 C4B A:HEM201 3.1 18.5 0.4 C4A A:HEM201 3.1 18.6 0.4 C4A A:HEM201 3.1 18.6 0.6 C1B A:HEM201 3.1 16.0 0.6 C1B A:HEM201 3.1 16.1 0.4 CD2 A:HIS89 3.3 16.4 1.0 CE1 A:HIS89 3.4 18.6 1.0 CHA A:HEM201 3.4 23.0 0.4 CHC A:HEM201 3.4 17.7 0.6 CHA A:HEM201 3.4 23.0 0.6 CHC A:HEM201 3.4 17.7 0.4 CHD A:HEM201 3.4 21.6 0.4 CHD A:HEM201 3.4 21.6 0.6 CHB A:HEM201 3.5 15.3 0.4 CHB A:HEM201 3.5 15.3 0.6 O1 A:OXY202 3.6 23.7 1.0 C2C A:HEM201 4.3 21.9 0.6 C2C A:HEM201 4.3 21.9 0.4 C3C A:HEM201 4.3 19.9 0.6 C3C A:HEM201 4.3 19.9 0.4 C2A A:HEM201 4.3 21.7 0.4 C3D A:HEM201 4.3 24.8 0.4 C2D A:HEM201 4.3 22.3 0.4 C3A A:HEM201 4.3 20.0 0.4 C3D A:HEM201 4.3 24.8 0.6 C2A A:HEM201 4.3 21.7 0.6 C2D A:HEM201 4.3 22.3 0.6 C3A A:HEM201 4.3 20.0 0.6 CG2 A:VAL59 4.3 19.3 1.0 C3B A:HEM201 4.3 18.3 0.6 C3B A:HEM201 4.3 18.3 0.4 C2B A:HEM201 4.3 15.1 0.6 C2B A:HEM201 4.3 15.1 0.4 CG A:HIS89 4.5 16.6 1.0 ND1 A:HIS89 4.5 17.9 1.0 CE1 A:HIS55 4.6 16.5 1.0 CE A:MET86 4.8 21.4 1.0

Iron binding site 2 out of 3 in the Dehaloperoxidase B Y38F 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 Y38F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:18.7 occ:0.63 FE A:HEM201 0.0 18.7 0.6 FE A:HEM201 0.0 18.7 0.4 NA A:HEM201 2.0 17.1 0.4 NA A:HEM201 2.0 17.0 0.6 ND A:HEM201 2.0 19.6 0.4 ND A:HEM201 2.0 19.6 0.6 NC A:HEM201 2.0 18.3 0.6 NC A:HEM201 2.1 18.3 0.4 NB A:HEM201 2.1 16.8 0.6 NB A:HEM201 2.1 16.8 0.4 NE2 A:HIS89 2.4 18.1 1.0 O2 A:OXY202 2.5 21.2 1.0 C1A A:HEM201 3.0 20.1 0.4 C4D A:HEM201 3.0 21.6 0.4 C1A A:HEM201 3.0 20.1 0.6 C4D A:HEM201 3.0 21.6 0.6 C1C A:HEM201 3.1 18.7 0.6 C1D A:HEM201 3.1 23.2 0.4 C4A A:HEM201 3.1 18.6 0.4 C1C A:HEM201 3.1 18.7 0.4 C1D A:HEM201 3.1 23.2 0.6 C4C A:HEM201 3.1 20.9 0.6 C4A A:HEM201 3.1 18.6 0.6 C4C A:HEM201 3.1 20.9 0.4 C4B A:HEM201 3.1 18.5 0.6 C4B A:HEM201 3.1 18.5 0.4 C1B A:HEM201 3.1 16.0 0.6 C1B A:HEM201 3.1 16.1 0.4 CD2 A:HIS89 3.3 16.4 1.0 CHA A:HEM201 3.4 23.0 0.4 CE1 A:HIS89 3.4 18.6 1.0 CHA A:HEM201 3.4 23.0 0.6 CHC A:HEM201 3.4 17.7 0.6 CHD A:HEM201 3.4 21.6 0.4 CHD A:HEM201 3.4 21.6 0.6 CHC A:HEM201 3.5 17.7 0.4 CHB A:HEM201 3.5 15.3 0.4 CHB A:HEM201 3.5 15.3 0.6 O1 A:OXY202 3.6 23.7 1.0 C2A A:HEM201 4.3 21.7 0.4 C3D A:HEM201 4.3 24.8 0.4 C3A A:HEM201 4.3 20.0 0.4 C2C A:HEM201 4.3 21.9 0.6 C2A A:HEM201 4.3 21.7 0.6 C3D A:HEM201 4.3 24.8 0.6 C2D A:HEM201 4.3 22.3 0.4 C3C A:HEM201 4.3 19.9 0.6 C2C A:HEM201 4.3 21.9 0.4 C3A A:HEM201 4.3 20.0 0.6 C2D A:HEM201 4.3 22.3 0.6 C3C A:HEM201 4.3 19.9 0.4 CG2 A:VAL59 4.3 19.3 1.0 C3B A:HEM201 4.3 18.3 0.6 C3B A:HEM201 4.3 18.3 0.4 C2B A:HEM201 4.3 15.1 0.6 C2B A:HEM201 4.4 15.1 0.4 CG A:HIS89 4.5 16.6 1.0 ND1 A:HIS89 4.5 17.9 1.0 CE1 A:HIS55 4.6 16.5 1.0 CE A:MET86 4.8 21.4 1.0

Iron binding site 3 out of 3 in the Dehaloperoxidase B Y38F Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Dehaloperoxidase B Y38F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:17.1 occ:1.00 FE B:HEM201 0.0 17.1 1.0 NA B:HEM201 2.0 9.3 1.0 ND B:HEM201 2.1 16.0 1.0 NB B:HEM201 2.1 14.8 1.0 NC B:HEM201 2.1 16.9 1.0 NE2 B:HIS89 2.3 18.1 1.0 O1 B:OXY204 2.6 21.1 1.0 C4A B:HEM201 3.0 16.1 1.0 C1A B:HEM201 3.0 17.7 1.0 C1B B:HEM201 3.0 18.6 1.0 C4D B:HEM201 3.1 19.3 1.0 C1D B:HEM201 3.1 16.0 1.0 C4C B:HEM201 3.1 13.5 1.0 C4B B:HEM201 3.1 14.7 1.0 C1C B:HEM201 3.1 14.0 1.0 CD2 B:HIS89 3.2 22.6 1.0 CE1 B:HIS89 3.3 16.6 1.0 CHB B:HEM201 3.4 12.1 1.0 CHA B:HEM201 3.4 15.7 1.0 CHD B:HEM201 3.4 20.6 1.0 CHC B:HEM201 3.5 12.9 1.0 O2 B:OXY204 3.8 21.4 1.0 C3A B:HEM201 4.2 19.6 1.0 C2A B:HEM201 4.2 14.7 1.0 C2B B:HEM201 4.3 12.0 1.0 C2D B:HEM201 4.3 18.1 1.0 C3D B:HEM201 4.3 25.1 1.0 C3B B:HEM201 4.3 14.9 1.0 C3C B:HEM201 4.3 17.2 1.0 C2C B:HEM201 4.3 16.2 1.0 CG2 B:VAL59 4.3 10.3 1.0 CG B:HIS89 4.4 22.9 1.0 ND1 B:HIS89 4.4 19.4 1.0 CE B:MET86 4.6 21.6 1.0 CE1 B:HIS55 4.9 18.1 1.0

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