Iron in PDB 1cxp: Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C

All present enzymatic activity of Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C:
1.11.1.7;

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

Resolution Low / High (Å)	30.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	111.030, 63.380, 92.170, 90.00, 97.36, 90.00
R / Rfree (%)	19.7 / 23.9

The structure of Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Calcium	(Ca)	2 atoms

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

Iron binding site 1 out of 2 in the Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe605 b:9.9 occ:1.00 FE A:HEM605 0.0 9.9 1.0 NA A:HEM605 2.0 7.6 1.0 NC A:HEM605 2.0 7.9 1.0 NB A:HEM605 2.0 6.8 1.0 ND A:HEM605 2.0 7.6 1.0 NE2 C:HIS336 2.2 5.8 1.0 O A:HOH844A 2.9 8.5 1.0 C1A A:HEM605 3.0 6.7 1.0 C4C A:HEM605 3.0 8.2 1.0 C1C A:HEM605 3.0 4.0 1.0 C4A A:HEM605 3.0 7.3 1.0 C4B A:HEM605 3.1 7.2 1.0 C4D A:HEM605 3.1 6.2 1.0 C1D A:HEM605 3.1 8.1 1.0 C1B A:HEM605 3.1 7.7 1.0 CD2 C:HIS336 3.1 3.6 1.0 CE1 C:HIS336 3.2 2.2 1.0 CHA A:HEM605 3.4 7.6 1.0 CHD A:HEM605 3.4 7.8 1.0 CHC A:HEM605 3.4 4.3 1.0 CHB A:HEM605 3.4 5.9 1.0 CG C:HIS336 4.2 5.8 1.0 C2A A:HEM605 4.3 5.3 1.0 C3A A:HEM605 4.3 4.8 1.0 C2C A:HEM605 4.3 5.4 1.0 C3C A:HEM605 4.3 6.7 1.0 C2D A:HEM605 4.3 8.6 1.0 C3D A:HEM605 4.3 6.5 1.0 C2B A:HEM605 4.3 8.0 1.0 C3B A:HEM605 4.3 7.8 1.0 ND1 C:HIS336 4.3 5.1 1.0 CD2 C:LEU417 4.6 4.6 1.0

Iron binding site 2 out of 2 in the Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cryogenic Crystal Structure of Human Myeloperoxidase Isoform C within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe605 b:9.4 occ:1.00 FE B:HEM605 0.0 9.4 1.0 NC B:HEM605 2.0 7.3 1.0 NA B:HEM605 2.0 9.4 1.0 ND B:HEM605 2.0 7.3 1.0 NB B:HEM605 2.0 8.0 1.0 NE2 D:HIS336 2.2 8.9 1.0 O B:HOH844B 3.0 15.8 1.0 C4C B:HEM605 3.0 7.0 1.0 C4A B:HEM605 3.0 7.4 1.0 C1A B:HEM605 3.0 8.9 1.0 C1D B:HEM605 3.0 8.1 1.0 C1C B:HEM605 3.0 5.2 1.0 C1B B:HEM605 3.0 7.3 1.0 C4D B:HEM605 3.0 7.3 1.0 C4B B:HEM605 3.1 6.6 1.0 CD2 D:HIS336 3.1 7.0 1.0 CE1 D:HIS336 3.2 7.3 1.0 CHD B:HEM605 3.4 8.5 1.0 CHB B:HEM605 3.4 7.4 1.0 CHA B:HEM605 3.4 7.8 1.0 CHC B:HEM605 3.4 2.5 1.0 C2C B:HEM605 4.3 7.0 1.0 C3C B:HEM605 4.3 8.9 1.0 CG D:HIS336 4.3 7.0 1.0 C2A B:HEM605 4.3 9.0 1.0 C3A B:HEM605 4.3 8.0 1.0 C3D B:HEM605 4.3 8.0 1.0 C2D B:HEM605 4.3 7.0 1.0 C2B B:HEM605 4.3 6.4 1.0 ND1 D:HIS336 4.3 8.3 1.0 C3B B:HEM605 4.3 6.5 1.0 CD2 D:LEU417 4.6 5.9 1.0 O B:HOH843B 4.9 12.0 1.0

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