Iron in PDB 1d5l: Crystal Structure of Cyanide-Bound Human Myeloperoxidase Isoform C at pH 5.5

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

The structure of Crystal Structure of Cyanide-Bound Human Myeloperoxidase Isoform C at pH 5.5, PDB code: 1d5l 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 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	111.215, 63.507, 92.337, 90.00, 97.43, 90.00
R / Rfree (%)	17.2 / 21.5

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

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

The binding sites of Iron atom in the Crystal Structure of Cyanide-Bound Human Myeloperoxidase Isoform C at pH 5.5 (pdb code 1d5l). 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 Cyanide-Bound Human Myeloperoxidase Isoform C at pH 5.5, PDB code: 1d5l:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Cyanide-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 Cyanide-Bound Human Myeloperoxidase Isoform C at pH 5.5 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 7.2 1.0 NC A:HEM605 2.0 7.5 1.0 ND A:HEM605 2.0 8.5 1.0 NB A:HEM605 2.0 6.9 1.0 C A:CYN1844 2.1 12.3 1.0 NE2 C:HIS336 2.2 8.6 1.0 C4A A:HEM605 3.0 7.5 1.0 C4C A:HEM605 3.0 7.8 1.0 C1C A:HEM605 3.0 5.7 1.0 C1A A:HEM605 3.0 6.6 1.0 C1D A:HEM605 3.0 8.2 1.0 C4B A:HEM605 3.0 8.4 1.0 C1B A:HEM605 3.0 7.9 1.0 C4D A:HEM605 3.0 6.1 1.0 N A:CYN1844 3.1 10.6 1.0 CD2 C:HIS336 3.1 6.5 1.0 CE1 C:HIS336 3.2 7.0 1.0 CHD A:HEM605 3.4 7.3 1.0 CHB A:HEM605 3.4 7.0 1.0 CHC A:HEM605 3.4 5.6 1.0 CHA A:HEM605 3.4 4.9 1.0 C3A A:HEM605 4.2 5.3 1.0 C2A A:HEM605 4.3 4.3 1.0 C2C A:HEM605 4.3 7.4 1.0 C3C A:HEM605 4.3 8.1 1.0 C2D A:HEM605 4.3 7.9 1.0 C2B A:HEM605 4.3 8.7 1.0 C3D A:HEM605 4.3 7.3 1.0 CG C:HIS336 4.3 8.2 1.0 C3B A:HEM605 4.3 7.5 1.0 ND1 C:HIS336 4.3 6.3 1.0 CD2 C:LEU417 4.7 4.9 1.0 O A:HOH845A 4.8 8.9 1.0 NE2 A:GLN91 4.8 7.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Cyanide-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 Cyanide-Bound Human Myeloperoxidase Isoform C at pH 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe605 b:10.6 occ:1.00 FE B:HEM605 0.0 10.6 1.0 NC B:HEM605 2.0 7.3 1.0 ND B:HEM605 2.0 7.0 1.0 NA B:HEM605 2.0 7.3 1.0 NB B:HEM605 2.0 8.3 1.0 C B:CYN2844 2.1 14.7 1.0 NE2 D:HIS336 2.2 10.4 1.0 C1D B:HEM605 3.0 8.3 1.0 C4C B:HEM605 3.0 7.5 1.0 C4D B:HEM605 3.0 6.5 1.0 C1C B:HEM605 3.0 7.2 1.0 C1A B:HEM605 3.0 6.8 1.0 C4A B:HEM605 3.0 7.4 1.0 C1B B:HEM605 3.0 8.4 1.0 C4B B:HEM605 3.0 7.2 1.0 CD2 D:HIS336 3.1 9.6 1.0 N B:CYN2844 3.2 16.0 1.0 CE1 D:HIS336 3.2 9.6 1.0 CHD B:HEM605 3.4 8.2 1.0 CHA B:HEM605 3.4 6.7 1.0 CHB B:HEM605 3.4 8.6 1.0 CHC B:HEM605 3.4 4.1 1.0 C3D B:HEM605 4.2 7.7 1.0 C2D B:HEM605 4.2 6.5 1.0 C3C B:HEM605 4.3 9.3 1.0 C2C B:HEM605 4.3 8.3 1.0 C2A B:HEM605 4.3 6.2 1.0 C3A B:HEM605 4.3 6.4 1.0 C2B B:HEM605 4.3 7.2 1.0 C3B B:HEM605 4.3 6.9 1.0 CG D:HIS336 4.3 9.9 1.0 ND1 D:HIS336 4.3 10.6 1.0 O B:HOH845B 4.8 8.2 1.0 CD2 D:LEU417 4.8 7.9 1.0 NE2 B:GLN91 4.9 4.9 1.0

M.Blair-Johnson, T.Fiedler, R.Fenna. Human Myeloperoxidase: Structure of A Cyanide Complex and Its Interaction with Bromide and Thiocyanate Substrates at 1.9 A Resolution. Biochemistry V. 40 13990 2001.
ISSN: ISSN 0006-2960
PubMed: 11705390
DOI: 10.1021/BI0111808