Atomistry » Iron » PDB 7qhm-7r2r » 7qze
Atomistry »
  Iron »
    PDB 7qhm-7r2r »
      7qze »

Iron in PDB 7qze: Sfx Structure of Dye-Type Peroxidase Dtpb D152A Variant in the Ferryl State

Protein crystallography data

The structure of Sfx Structure of Dye-Type Peroxidase Dtpb D152A Variant in the Ferryl State, PDB code: 7qze was solved by M.Lucic, J.A.R.Worrall, M.A.Hough, A.Shilova, D.A.Axford, R.L.Owen, T.Tosha, H.Sugimoto, S.Owada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.00 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 86.52, 120.9, 197.41, 90, 90, 90
R / Rfree (%) 16.6 / 20.1

Other elements in 7qze:

The structure of Sfx Structure of Dye-Type Peroxidase Dtpb D152A Variant in the Ferryl State also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Sfx Structure of Dye-Type Peroxidase Dtpb D152A Variant in the Ferryl State (pdb code 7qze). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Sfx Structure of Dye-Type Peroxidase Dtpb D152A Variant in the Ferryl State, PDB code: 7qze:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 7qze

Go back to Iron Binding Sites List in 7qze
Iron binding site 1 out of 6 in the Sfx Structure of Dye-Type Peroxidase Dtpb D152A Variant in the Ferryl State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sfx Structure of Dye-Type Peroxidase Dtpb D152A Variant in the Ferryl State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:23.0
occ:1.00
FE A:HEM401 0.0 23.0 1.0
O A:O403 1.8 23.4 1.0
ND A:HEM401 1.9 21.2 1.0
NA A:HEM401 2.0 23.3 1.0
NC A:HEM401 2.1 21.4 1.0
NB A:HEM401 2.1 23.5 1.0
NE2 A:HIS225 2.1 20.4 1.0
C1D A:HEM401 2.9 21.4 1.0
C4D A:HEM401 3.0 22.8 1.0
C1A A:HEM401 3.0 23.8 1.0
C4A A:HEM401 3.0 23.4 1.0
C4C A:HEM401 3.0 21.9 1.0
C1B A:HEM401 3.0 27.1 1.0
C4B A:HEM401 3.1 26.7 1.0
CD2 A:HIS225 3.1 19.6 1.0
C1C A:HEM401 3.1 22.7 1.0
CE1 A:HIS225 3.1 19.6 1.0
CHD A:HEM401 3.4 21.7 1.0
CHB A:HEM401 3.4 24.5 1.0
CHA A:HEM401 3.4 24.7 1.0
CHC A:HEM401 3.5 23.7 1.0
NH1 A:ARG243 4.0 23.7 1.0
C2D A:HEM401 4.2 22.9 1.0
C3A A:HEM401 4.2 26.0 1.0
ND1 A:HIS225 4.2 20.2 1.0
C3D A:HEM401 4.2 21.9 1.0
CG A:HIS225 4.2 19.4 1.0
C2A A:HEM401 4.3 25.9 1.0
C2B A:HEM401 4.3 26.8 1.0
C3C A:HEM401 4.3 22.1 1.0
C2C A:HEM401 4.3 21.1 1.0
C3B A:HEM401 4.3 27.3 1.0
CD A:ARG243 4.5 25.2 1.0
ND2 A:ASN245 4.6 27.4 1.0
CZ A:ARG243 4.8 25.4 1.0
NE A:ARG243 5.0 24.7 1.0

Iron binding site 2 out of 6 in 7qze

Go back to Iron Binding Sites List in 7qze
Iron binding site 2 out of 6 in the Sfx Structure of Dye-Type Peroxidase Dtpb D152A Variant in the Ferryl State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Sfx Structure of Dye-Type Peroxidase Dtpb D152A Variant in the Ferryl State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:23.2
occ:1.00
FE B:HEM401 0.0 23.2 1.0
ND B:HEM401 1.9 22.8 1.0
O B:O402 2.0 26.7 1.0
NA B:HEM401 2.0 22.6 1.0
NC B:HEM401 2.0 23.0 1.0
NB B:HEM401 2.1 23.0 1.0
NE2 B:HIS225 2.2 22.9 1.0
C4D B:HEM401 2.9 22.3 1.0
C1D B:HEM401 3.0 22.7 1.0
C4B B:HEM401 3.0 21.9 1.0
C1A B:HEM401 3.0 21.2 1.0
CD2 B:HIS225 3.0 21.6 1.0
C4A B:HEM401 3.0 21.3 1.0
C4C B:HEM401 3.0 22.4 1.0
C1B B:HEM401 3.1 21.2 1.0
C1C B:HEM401 3.1 21.3 1.0
CE1 B:HIS225 3.2 23.6 1.0
CHC B:HEM401 3.4 21.0 1.0
CHA B:HEM401 3.4 21.6 1.0
CHD B:HEM401 3.4 22.6 1.0
CHB B:HEM401 3.4 22.0 1.0
NH1 B:ARG243 4.0 24.6 1.0
C3D B:HEM401 4.2 22.6 1.0
CG B:HIS225 4.2 21.3 1.0
C2D B:HEM401 4.2 22.6 1.0
C2A B:HEM401 4.2 22.8 1.0
C3A B:HEM401 4.2 21.7 1.0
C3B B:HEM401 4.3 24.3 1.0
ND2 B:ASN245 4.3 28.8 1.0
C3C B:HEM401 4.3 22.0 1.0
C2C B:HEM401 4.3 22.8 1.0
C2B B:HEM401 4.3 21.6 1.0
ND1 B:HIS225 4.3 20.2 1.0
O B:HOH598 4.3 33.8 1.0
CD B:ARG243 4.5 24.8 1.0
CZ B:ARG243 4.8 24.4 1.0

Iron binding site 3 out of 6 in 7qze

Go back to Iron Binding Sites List in 7qze
Iron binding site 3 out of 6 in the Sfx Structure of Dye-Type Peroxidase Dtpb D152A Variant in the Ferryl State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Sfx Structure of Dye-Type Peroxidase Dtpb D152A Variant in the Ferryl State within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe401

b:26.4
occ:1.00
FE C:HEM401 0.0 26.4 1.0
ND C:HEM401 1.9 26.4 1.0
NA C:HEM401 2.0 26.4 1.0
O C:O402 2.0 35.2 1.0
NC C:HEM401 2.1 24.7 1.0
NB C:HEM401 2.1 26.0 1.0
NE2 C:HIS225 2.2 23.6 1.0
C4D C:HEM401 2.9 23.8 1.0
C1D C:HEM401 3.0 25.4 1.0
C1A C:HEM401 3.0 24.5 1.0
C4C C:HEM401 3.0 26.1 1.0
C4B C:HEM401 3.1 24.6 1.0
C4A C:HEM401 3.1 27.4 1.0
C1B C:HEM401 3.1 28.2 1.0
C1C C:HEM401 3.1 24.3 1.0
CD2 C:HIS225 3.1 24.5 1.0
CE1 C:HIS225 3.2 25.9 1.0
CHA C:HEM401 3.4 26.1 1.0
CHD C:HEM401 3.4 27.3 1.0
CHC C:HEM401 3.5 23.4 1.0
CHB C:HEM401 3.5 26.0 1.0
NH1 C:ARG243 4.1 27.2 1.0
C3D C:HEM401 4.2 28.7 1.0
C2A C:HEM401 4.2 26.3 1.0
C2D C:HEM401 4.2 28.0 1.0
C3A C:HEM401 4.2 27.6 1.0
C2C C:HEM401 4.3 26.3 1.0
ND1 C:HIS225 4.3 23.4 1.0
C3C C:HEM401 4.3 23.3 1.0
CG C:HIS225 4.3 24.9 1.0
C3B C:HEM401 4.3 28.7 1.0
C2B C:HEM401 4.3 28.3 1.0
CD C:ARG243 4.4 28.2 1.0
ND2 C:ASN245 4.6 31.7 1.0
CZ C:ARG243 4.8 28.7 1.0
NE C:ARG243 4.9 27.5 1.0

Iron binding site 4 out of 6 in 7qze

Go back to Iron Binding Sites List in 7qze
Iron binding site 4 out of 6 in the Sfx Structure of Dye-Type Peroxidase Dtpb D152A Variant in the Ferryl State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Sfx Structure of Dye-Type Peroxidase Dtpb D152A Variant in the Ferryl State within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe401

b:21.4
occ:1.00
FE D:HEM401 0.0 21.4 1.0
O D:O403 1.8 22.9 1.0
ND D:HEM401 1.9 20.3 1.0
NA D:HEM401 2.0 18.9 1.0
NB D:HEM401 2.1 23.7 1.0
NC D:HEM401 2.1 20.4 1.0
NE2 D:HIS225 2.1 19.3 1.0
C1D D:HEM401 2.9 20.4 1.0
C4D D:HEM401 3.0 20.1 1.0
C1A D:HEM401 3.0 20.4 1.0
C4A D:HEM401 3.0 20.8 1.0
C4C D:HEM401 3.1 20.2 1.0
C4B D:HEM401 3.1 22.5 1.0
C1B D:HEM401 3.1 24.3 1.0
C1C D:HEM401 3.1 20.1 1.0
CD2 D:HIS225 3.1 19.3 1.0
CE1 D:HIS225 3.1 20.0 1.0
CHA D:HEM401 3.4 21.2 1.0
CHD D:HEM401 3.4 21.1 1.0
CHB D:HEM401 3.5 21.6 1.0
CHC D:HEM401 3.5 21.4 1.0
NH1 D:ARG243 3.9 22.2 1.0
C2D D:HEM401 4.2 22.6 1.0
C3D D:HEM401 4.2 22.2 1.0
C3A D:HEM401 4.2 21.9 1.0
C2A D:HEM401 4.2 21.9 1.0
ND1 D:HIS225 4.3 20.6 1.0
C2C D:HEM401 4.3 20.6 1.0
CG D:HIS225 4.3 20.4 1.0
C3C D:HEM401 4.3 21.6 1.0
C3B D:HEM401 4.3 23.8 1.0
C2B D:HEM401 4.3 24.8 1.0
CD D:ARG243 4.5 23.2 1.0
ND2 D:ASN245 4.5 28.8 1.0
CZ D:ARG243 4.8 22.3 1.0
NE D:ARG243 4.9 22.2 1.0

Iron binding site 5 out of 6 in 7qze

Go back to Iron Binding Sites List in 7qze
Iron binding site 5 out of 6 in the Sfx Structure of Dye-Type Peroxidase Dtpb D152A Variant in the Ferryl State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Sfx Structure of Dye-Type Peroxidase Dtpb D152A Variant in the Ferryl State within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe401

b:23.3
occ:1.00
FE E:HEM401 0.0 23.3 1.0
ND E:HEM401 1.9 24.6 1.0
O E:O402 2.0 24.5 1.0
NA E:HEM401 2.0 23.7 1.0
NB E:HEM401 2.1 22.7 1.0
NC E:HEM401 2.1 21.7 1.0
NE2 E:HIS225 2.1 22.8 1.0
C1D E:HEM401 2.9 24.7 1.0
C4D E:HEM401 2.9 23.3 1.0
C1A E:HEM401 3.0 23.8 1.0
C1B E:HEM401 3.0 25.6 1.0
C4A E:HEM401 3.0 25.3 1.0
CD2 E:HIS225 3.0 22.1 1.0
C4C E:HEM401 3.0 21.8 1.0
C4B E:HEM401 3.1 24.3 1.0
C1C E:HEM401 3.1 22.1 1.0
CE1 E:HIS225 3.2 25.1 1.0
CHA E:HEM401 3.4 22.6 1.0
CHD E:HEM401 3.4 24.2 1.0
CHB E:HEM401 3.4 24.1 1.0
CHC E:HEM401 3.5 21.7 1.0
NH1 E:ARG243 4.0 24.9 1.0
O E:HOH566 4.1 39.2 1.0
C2D E:HEM401 4.2 24.3 1.0
C3D E:HEM401 4.2 23.8 1.0
C3A E:HEM401 4.2 24.1 1.0
CG E:HIS225 4.2 22.4 1.0
C2A E:HEM401 4.2 24.2 1.0
C2B E:HEM401 4.3 23.2 1.0
ND1 E:HIS225 4.3 22.1 1.0
C3C E:HEM401 4.3 20.4 1.0
C2C E:HEM401 4.3 21.9 1.0
ND2 E:ASN245 4.3 34.3 1.0
C3B E:HEM401 4.3 25.2 1.0
CD E:ARG243 4.6 24.3 1.0
CZ E:ARG243 4.8 25.8 1.0

Iron binding site 6 out of 6 in 7qze

Go back to Iron Binding Sites List in 7qze
Iron binding site 6 out of 6 in the Sfx Structure of Dye-Type Peroxidase Dtpb D152A Variant in the Ferryl State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Sfx Structure of Dye-Type Peroxidase Dtpb D152A Variant in the Ferryl State within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe401

b:23.5
occ:1.00
FE F:HEM401 0.0 23.5 1.0
O F:O403 1.9 31.2 1.0
ND F:HEM401 1.9 23.5 1.0
NA F:HEM401 2.0 22.9 1.0
NC F:HEM401 2.1 21.5 1.0
NB F:HEM401 2.1 24.8 1.0
NE2 F:HIS225 2.2 25.2 1.0
C4D F:HEM401 2.9 23.6 1.0
C1D F:HEM401 2.9 23.9 1.0
C1A F:HEM401 3.0 22.2 1.0
C4A F:HEM401 3.1 22.9 1.0
C4B F:HEM401 3.1 24.0 1.0
C1C F:HEM401 3.1 21.4 1.0
C4C F:HEM401 3.1 22.8 1.0
C1B F:HEM401 3.1 23.8 1.0
CD2 F:HIS225 3.1 23.5 1.0
CE1 F:HIS225 3.2 24.9 1.0
CHA F:HEM401 3.4 22.5 1.0
CHC F:HEM401 3.4 21.5 1.0
CHD F:HEM401 3.4 22.7 1.0
CHB F:HEM401 3.5 22.6 1.0
NH1 F:ARG243 4.0 25.1 1.0
C2D F:HEM401 4.2 24.8 1.0
C3D F:HEM401 4.2 24.1 1.0
C3A F:HEM401 4.2 22.1 1.0
C2A F:HEM401 4.2 23.3 1.0
CG F:HIS225 4.2 23.4 1.0
C2C F:HEM401 4.2 23.0 1.0
C3C F:HEM401 4.3 25.0 1.0
ND1 F:HIS225 4.3 23.3 1.0
C3B F:HEM401 4.3 23.5 1.0
C2B F:HEM401 4.3 23.7 1.0
ND2 F:ASN245 4.5 32.1 1.0
CD F:ARG243 4.5 23.6 1.0
CZ F:ARG243 4.8 27.0 1.0

Reference:

M.Lucic, M.T.Wilson, T.Tosha, H.Sugimoto, A.Shilova, D.Axford, R.L.Owen, M.A.Hough, J.A.R.Worrall. Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase Dtpb. Acs Catalysis V. 12 13349 2022.
ISSN: ESSN 2155-5435
PubMed: 36366763
DOI: 10.1021/ACSCATAL.2C03754
Page generated: Thu Aug 8 20:44:11 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy