Iron in PDB 1d2v: Crystal Structure of Bromide-Bound Human Myeloperoxidase Isoform C at pH 5.5

All present enzymatic activity of Crystal Structure of Bromide-Bound Human Myeloperoxidase Isoform C at pH 5.5:
1.11.1.7;

The structure of Crystal Structure of Bromide-Bound Human Myeloperoxidase Isoform C at pH 5.5, PDB code: 1d2v was solved by T.J.Fiedler, C.A.Davey, R.E.Fenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	111.155, 63.488, 92.476, 90.00, 97.36, 90.00
R / Rfree (%)	24.3 / 29.6

The structure of Crystal Structure of Bromide-Bound Human Myeloperoxidase Isoform C at pH 5.5 also contains other interesting chemical elements:

Bromine	(Br)	8 atoms
Calcium	(Ca)	2 atoms

The binding sites of Iron atom in the Crystal Structure of Bromide-Bound Human Myeloperoxidase Isoform C at pH 5.5 (pdb code 1d2v). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Bromide-Bound Human Myeloperoxidase Isoform C at pH 5.5, PDB code: 1d2v:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Bromide-Bound Human Myeloperoxidase Isoform C at pH 5.5


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 Bromide-Bound Human Myeloperoxidase Isoform C at pH 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe605 b:6.4 occ:1.00 FE A:HEM605 0.0 6.4 1.0 NC A:HEM605 2.0 7.9 1.0 NA A:HEM605 2.0 6.6 1.0 ND A:HEM605 2.0 4.8 1.0 NB A:HEM605 2.0 6.5 1.0 NE2 C:HIS336 2.2 4.6 1.0 O A:HOH844A 2.8 8.6 1.0 C4C A:HEM605 3.0 8.3 1.0 C1A A:HEM605 3.0 6.7 1.0 C1C A:HEM605 3.0 4.4 1.0 C1D A:HEM605 3.0 6.8 1.0 C4D A:HEM605 3.0 3.1 1.0 C4A A:HEM605 3.0 5.7 1.0 C4B A:HEM605 3.1 5.3 1.0 C1B A:HEM605 3.1 5.2 1.0 CD2 C:HIS336 3.1 2.0 1.0 CE1 C:HIS336 3.1 2.0 1.0 CHD A:HEM605 3.4 8.8 1.0 CHA A:HEM605 3.4 5.7 1.0 CHC A:HEM605 3.4 4.8 1.0 CHB A:HEM605 3.4 3.9 1.0 CG C:HIS336 4.2 2.0 1.0 C3C A:HEM605 4.2 6.7 1.0 C2A A:HEM605 4.3 5.4 1.0 C2C A:HEM605 4.3 5.8 1.0 C3A A:HEM605 4.3 4.7 1.0 C2D A:HEM605 4.3 7.6 1.0 C3D A:HEM605 4.3 5.0 1.0 ND1 C:HIS336 4.3 4.2 1.0 C2B A:HEM605 4.3 4.6 1.0 C3B A:HEM605 4.3 4.3 1.0 CD2 C:LEU417 4.7 3.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Bromide-Bound Human Myeloperoxidase Isoform C at pH 5.5


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 Bromide-Bound Human Myeloperoxidase Isoform C at pH 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe605 b:9.3 occ:1.00 FE B:HEM605 0.0 9.3 1.0 NC B:HEM605 2.0 4.5 1.0 NB B:HEM605 2.0 5.5 1.0 NA B:HEM605 2.0 8.4 1.0 ND B:HEM605 2.0 6.3 1.0 NE2 D:HIS336 2.2 9.1 1.0 O B:HOH844B 3.0 21.1 1.0 C4C B:HEM605 3.0 4.4 1.0 C1C B:HEM605 3.0 2.0 1.0 C1D B:HEM605 3.0 5.8 1.0 C1B B:HEM605 3.0 3.8 1.0 C4A B:HEM605 3.0 8.5 1.0 C4B B:HEM605 3.0 4.2 1.0 C1A B:HEM605 3.1 7.5 1.0 C4D B:HEM605 3.1 6.1 1.0 CD2 D:HIS336 3.1 6.0 1.0 CE1 D:HIS336 3.2 5.8 1.0 CHD B:HEM605 3.4 5.1 1.0 CHB B:HEM605 3.4 5.8 1.0 CHC B:HEM605 3.4 2.0 1.0 CHA B:HEM605 3.5 5.2 1.0 C2C B:HEM605 4.2 3.3 1.0 C3C B:HEM605 4.3 5.9 1.0 CG D:HIS336 4.3 6.2 1.0 C2B B:HEM605 4.3 2.9 1.0 C3A B:HEM605 4.3 6.6 1.0 C2A B:HEM605 4.3 7.4 1.0 C2D B:HEM605 4.3 6.1 1.0 C3B B:HEM605 4.3 3.7 1.0 C3D B:HEM605 4.3 6.1 1.0 ND1 D:HIS336 4.3 6.4 1.0 CD2 D:LEU417 4.6 5.7 1.0 NE2 B:GLN91 5.0 3.2 1.0 BR B:BR843 5.0 12.6 0.4

T.J.Fiedler, C.A.Davey, R.E.Fenna. X-Ray Crystal Structure and Characterization of Halide-Binding Sites of Human Myeloperoxidase at 1.8 A Resolution. J.Biol.Chem. V. 275 11964 2000.
ISSN: ISSN 0021-9258
PubMed: 10766826
DOI: 10.1074/JBC.275.16.11964