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Iron in PDB 1d7w: Crystal Structure of Human Myeloperoxidase Isoform C Complexed with Cyanide and Bromide at pH 4.0

Enzymatic activity of Crystal Structure of Human Myeloperoxidase Isoform C Complexed with Cyanide and Bromide at pH 4.0

All present enzymatic activity of Crystal Structure of Human Myeloperoxidase Isoform C Complexed with Cyanide and Bromide at pH 4.0:
1.11.1.7;

Protein crystallography data

The structure of Crystal Structure of Human Myeloperoxidase Isoform C Complexed with Cyanide and Bromide at pH 4.0, PDB code: 1d7w 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 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 111.338, 63.324, 92.263, 90.00, 97.41, 90.00
R / Rfree (%) 21.5 / 27

Other elements in 1d7w:

The structure of Crystal Structure of Human Myeloperoxidase Isoform C Complexed with Cyanide and Bromide at pH 4.0 also contains other interesting chemical elements:

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

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Human Myeloperoxidase Isoform C Complexed with Cyanide and Bromide at pH 4.0 (pdb code 1d7w). 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 Human Myeloperoxidase Isoform C Complexed with Cyanide and Bromide at pH 4.0, PDB code: 1d7w:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1d7w

Go back to Iron Binding Sites List in 1d7w
Iron binding site 1 out of 2 in the Crystal Structure of Human Myeloperoxidase Isoform C Complexed with Cyanide and Bromide at pH 4.0


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 Human Myeloperoxidase Isoform C Complexed with Cyanide and Bromide at pH 4.0 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe605

b:10.7
occ:1.00
FE A:HEM605 0.0 10.7 1.0
NB A:HEM605 2.0 4.6 1.0
NA A:HEM605 2.0 5.6 1.0
NC A:HEM605 2.0 5.3 1.0
ND A:HEM605 2.0 5.5 1.0
C A:CYN1844 2.1 6.8 1.0
NE2 C:HIS336 2.2 4.6 1.0
N A:CYN1844 2.8 6.6 1.0
C4B A:HEM605 3.0 6.2 1.0
C1B A:HEM605 3.0 5.8 1.0
C4A A:HEM605 3.0 5.7 1.0
C1D A:HEM605 3.0 5.3 1.0
C4C A:HEM605 3.0 5.8 1.0
C1A A:HEM605 3.0 6.5 1.0
C1C A:HEM605 3.0 2.3 1.0
C4D A:HEM605 3.0 3.6 1.0
CD2 C:HIS336 3.1 3.3 1.0
CE1 C:HIS336 3.2 3.4 1.0
CHB A:HEM605 3.4 4.3 1.0
CHD A:HEM605 3.4 5.0 1.0
CHC A:HEM605 3.4 2.3 1.0
CHA A:HEM605 3.4 5.0 1.0
CG C:HIS336 4.2 5.4 1.0
C3A A:HEM605 4.3 6.0 1.0
C2D A:HEM605 4.3 5.6 1.0
C2A A:HEM605 4.3 4.0 1.0
C3C A:HEM605 4.3 4.7 1.0
C2C A:HEM605 4.3 2.0 1.0
C3B A:HEM605 4.3 5.0 1.0
C3D A:HEM605 4.3 5.0 1.0
C2B A:HEM605 4.3 6.0 1.0
ND1 C:HIS336 4.3 5.7 1.0
CD2 C:LEU417 4.8 7.8 1.0
O C:HOH845A 4.8 6.0 1.0
NE2 A:GLN91 4.9 5.6 1.0

Iron binding site 2 out of 2 in 1d7w

Go back to Iron Binding Sites List in 1d7w
Iron binding site 2 out of 2 in the Crystal Structure of Human Myeloperoxidase Isoform C Complexed with Cyanide and Bromide at pH 4.0


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 Human Myeloperoxidase Isoform C Complexed with Cyanide and Bromide at pH 4.0 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe605

b:10.2
occ:1.00
FE B:HEM605 0.0 10.2 1.0
NA B:HEM605 2.0 11.1 1.0
NC B:HEM605 2.0 5.7 1.0
NB B:HEM605 2.0 7.3 1.0
ND B:HEM605 2.0 7.4 1.0
C B:CYN2844 2.0 18.9 1.0
NE2 D:HIS336 2.2 10.5 1.0
N B:CYN2844 2.9 18.7 1.0
C4C B:HEM605 3.0 5.6 1.0
C1B B:HEM605 3.0 7.6 1.0
C4A B:HEM605 3.0 11.5 1.0
C1C B:HEM605 3.0 5.0 1.0
C1A B:HEM605 3.0 11.1 1.0
C1D B:HEM605 3.0 6.9 1.0
C4B B:HEM605 3.0 6.8 1.0
C4D B:HEM605 3.0 6.7 1.0
CD2 D:HIS336 3.2 8.8 1.0
CE1 D:HIS336 3.2 8.1 1.0
CHB B:HEM605 3.4 10.2 1.0
CHD B:HEM605 3.4 5.8 1.0
CHC B:HEM605 3.4 2.0 1.0
CHA B:HEM605 3.4 7.5 1.0
C2C B:HEM605 4.2 6.8 1.0
C3C B:HEM605 4.2 6.6 1.0
C3A B:HEM605 4.2 8.9 1.0
C2A B:HEM605 4.3 11.3 1.0
C2B B:HEM605 4.3 7.3 1.0
C3D B:HEM605 4.3 6.9 1.0
C3B B:HEM605 4.3 6.2 1.0
C2D B:HEM605 4.3 5.5 1.0
CG D:HIS336 4.3 10.2 1.0
ND1 D:HIS336 4.4 11.3 1.0
O B:HOH845B 4.6 16.1 1.0
CD2 D:LEU417 4.8 11.4 1.0
NE2 B:GLN91 4.9 3.8 1.0

Reference:

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
Page generated: Sat Aug 3 03:38:47 2024

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