Atomistry » Iron » PDB 6yj4-6zaf » 6yrd
Atomistry »
  Iron »
    PDB 6yj4-6zaf »
      6yrd »

Iron in PDB 6yrd: Sfx Structure of Dye-Type Peroxidase Dtpb in the Ferryl State

Protein crystallography data

The structure of Sfx Structure of Dye-Type Peroxidase Dtpb in the Ferryl State, PDB code: 6yrd was solved by M.Lucic, D.A.Axford, R.L.Owen, J.A.R.Worrall, M.A.Hough, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 13.00 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 86.3, 120, 198.45, 90, 90, 90
R / Rfree (%) 16.7 / 19.9

Other elements in 6yrd:

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

Magnesium (Mg) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Sfx Structure of Dye-Type Peroxidase Dtpb in the Ferryl State (pdb code 6yrd). 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 in the Ferryl State, PDB code: 6yrd:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 6yrd

Go back to Iron Binding Sites List in 6yrd
Iron binding site 1 out of 6 in the Sfx Structure of Dye-Type Peroxidase Dtpb 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 in the Ferryl State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:22.9
occ:1.00
FE A:HEM401 0.0 22.9 1.0
O A:O403 1.7 26.3 1.0
ND A:HEM401 2.0 22.7 1.0
NA A:HEM401 2.0 22.5 1.0
NB A:HEM401 2.0 23.9 1.0
NC A:HEM401 2.1 22.8 1.0
NE2 A:HIS225 2.1 22.9 1.0
C1B A:HEM401 3.0 23.2 1.0
C4D A:HEM401 3.0 21.9 1.0
C1D A:HEM401 3.0 23.9 1.0
C4A A:HEM401 3.0 23.4 1.0
C1A A:HEM401 3.0 22.5 1.0
C4B A:HEM401 3.0 24.7 1.0
CD2 A:HIS225 3.1 24.7 1.0
C4C A:HEM401 3.1 25.2 1.0
C1C A:HEM401 3.1 23.8 1.0
CE1 A:HIS225 3.1 24.1 1.0
CHB A:HEM401 3.4 23.3 1.0
CHA A:HEM401 3.4 22.3 1.0
CHD A:HEM401 3.4 23.8 1.0
CHC A:HEM401 3.5 23.1 1.0
NH1 A:ARG243 4.0 24.5 1.0
C2B A:HEM401 4.2 24.6 1.0
CG A:HIS225 4.2 24.3 1.0
ND1 A:HIS225 4.2 22.9 1.0
C3A A:HEM401 4.2 22.5 1.0
C2D A:HEM401 4.2 22.9 1.0
C3B A:HEM401 4.2 23.9 1.0
C2A A:HEM401 4.2 22.9 1.0
C3D A:HEM401 4.2 21.5 1.0
C2C A:HEM401 4.3 25.0 1.0
C3C A:HEM401 4.3 24.4 1.0
ND2 A:ASN245 4.4 28.1 1.0
CD A:ARG243 4.4 25.0 1.0
CZ A:ARG243 4.7 27.1 1.0
NE A:ARG243 4.9 26.4 1.0

Iron binding site 2 out of 6 in 6yrd

Go back to Iron Binding Sites List in 6yrd
Iron binding site 2 out of 6 in the Sfx Structure of Dye-Type Peroxidase Dtpb 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 in the Ferryl State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:26.4
occ:1.00
FE B:HEM401 0.0 26.4 1.0
O B:O402 1.9 30.1 1.0
ND B:HEM401 2.0 26.6 1.0
NA B:HEM401 2.0 24.1 1.0
NC B:HEM401 2.0 24.7 1.0
NB B:HEM401 2.1 25.8 1.0
NE2 B:HIS225 2.1 24.3 1.0
C1D B:HEM401 2.9 24.8 1.0
C4D B:HEM401 3.0 26.3 1.0
C4C B:HEM401 3.0 26.3 1.0
C1A B:HEM401 3.0 23.0 1.0
C4B B:HEM401 3.0 25.4 1.0
C1C B:HEM401 3.0 23.4 1.0
C4A B:HEM401 3.0 23.8 1.0
C1B B:HEM401 3.1 24.4 1.0
CD2 B:HIS225 3.1 25.6 1.0
CE1 B:HIS225 3.1 28.8 1.0
CHD B:HEM401 3.3 25.0 1.0
CHC B:HEM401 3.4 26.0 1.0
CHA B:HEM401 3.4 24.5 1.0
CHB B:HEM401 3.5 24.7 1.0
NH1 B:ARG243 4.0 26.8 1.0
C3C B:HEM401 4.2 25.0 1.0
C2C B:HEM401 4.2 25.4 1.0
C2D B:HEM401 4.2 24.7 1.0
C2A B:HEM401 4.2 26.5 1.0
ND1 B:HIS225 4.2 25.5 1.0
CG B:HIS225 4.2 23.9 1.0
C3A B:HEM401 4.2 25.7 1.0
C3D B:HEM401 4.2 26.7 1.0
C3B B:HEM401 4.3 25.7 1.0
C2B B:HEM401 4.3 24.9 1.0
ND2 B:ASN245 4.3 30.6 1.0
CD B:ARG243 4.4 27.9 1.0
CZ B:ARG243 4.7 27.6 1.0
NE B:ARG243 4.8 27.8 1.0

Iron binding site 3 out of 6 in 6yrd

Go back to Iron Binding Sites List in 6yrd
Iron binding site 3 out of 6 in the Sfx Structure of Dye-Type Peroxidase Dtpb 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 in the Ferryl State within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe401

b:26.5
occ:1.00
FE C:HEM401 0.0 26.5 1.0
O C:O403 1.9 29.2 1.0
ND C:HEM401 2.0 24.3 1.0
NA C:HEM401 2.0 26.1 1.0
NB C:HEM401 2.0 26.5 1.0
NC C:HEM401 2.0 25.2 1.0
NE2 C:HIS225 2.1 26.4 1.0
C4B C:HEM401 3.0 26.9 1.0
C4D C:HEM401 3.0 24.9 1.0
C1B C:HEM401 3.0 27.1 1.0
C1D C:HEM401 3.0 25.3 1.0
C4A C:HEM401 3.0 27.0 1.0
C1A C:HEM401 3.0 26.3 1.0
C4C C:HEM401 3.0 26.2 1.0
C1C C:HEM401 3.1 26.2 1.0
CD2 C:HIS225 3.1 28.2 1.0
CE1 C:HIS225 3.1 26.8 1.0
CHB C:HEM401 3.4 25.9 1.0
CHC C:HEM401 3.4 25.0 1.0
CHD C:HEM401 3.4 25.0 1.0
CHA C:HEM401 3.4 26.4 1.0
NH1 C:ARG243 3.9 27.1 1.0
C3B C:HEM401 4.2 26.6 1.0
C3A C:HEM401 4.2 27.1 1.0
ND1 C:HIS225 4.2 26.0 1.0
C2A C:HEM401 4.2 26.8 1.0
C2B C:HEM401 4.2 24.8 1.0
CG C:HIS225 4.2 27.3 1.0
C3D C:HEM401 4.2 26.6 1.0
C3C C:HEM401 4.2 25.1 1.0
C2C C:HEM401 4.3 26.5 1.0
C2D C:HEM401 4.3 25.5 1.0
ND2 C:ASN245 4.3 28.9 1.0
CD C:ARG243 4.4 28.6 1.0
CZ C:ARG243 4.7 29.5 1.0
NE C:ARG243 4.9 27.7 1.0

Iron binding site 4 out of 6 in 6yrd

Go back to Iron Binding Sites List in 6yrd
Iron binding site 4 out of 6 in the Sfx Structure of Dye-Type Peroxidase Dtpb 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 in the Ferryl State within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe401

b:23.2
occ:1.00
FE D:HEM401 0.0 23.2 1.0
O D:O403 1.9 27.3 1.0
ND D:HEM401 1.9 22.9 1.0
NA D:HEM401 2.0 22.1 1.0
NB D:HEM401 2.1 24.8 1.0
NC D:HEM401 2.1 21.8 1.0
NE2 D:HIS225 2.1 22.8 1.0
C1D D:HEM401 3.0 22.3 1.0
C4D D:HEM401 3.0 22.7 1.0
C1A D:HEM401 3.0 23.5 1.0
C4B D:HEM401 3.0 25.7 1.0
C4C D:HEM401 3.0 21.7 1.0
C4A D:HEM401 3.0 23.1 1.0
C1B D:HEM401 3.1 23.0 1.0
C1C D:HEM401 3.1 22.3 1.0
CE1 D:HIS225 3.1 24.0 1.0
CD2 D:HIS225 3.1 23.8 1.0
CHD D:HEM401 3.4 22.6 1.0
CHA D:HEM401 3.4 23.6 1.0
CHC D:HEM401 3.4 23.6 1.0
CHB D:HEM401 3.5 21.9 1.0
NH1 D:ARG243 4.0 25.6 1.0
ND1 D:HIS225 4.2 21.9 1.0
CG D:HIS225 4.2 23.4 1.0
C2A D:HEM401 4.2 23.2 1.0
C3A D:HEM401 4.2 22.0 1.0
C2C D:HEM401 4.2 23.2 1.0
C2D D:HEM401 4.2 22.7 1.0
C3D D:HEM401 4.2 24.1 1.0
C3C D:HEM401 4.3 22.2 1.0
C2B D:HEM401 4.3 25.0 1.0
C3B D:HEM401 4.3 25.0 1.0
ND2 D:ASN245 4.3 29.2 1.0
CD D:ARG243 4.4 27.9 1.0
CZ D:ARG243 4.7 25.7 1.0
NE D:ARG243 4.8 26.3 1.0

Iron binding site 5 out of 6 in 6yrd

Go back to Iron Binding Sites List in 6yrd
Iron binding site 5 out of 6 in the Sfx Structure of Dye-Type Peroxidase Dtpb 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 in the Ferryl State within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe401

b:26.9
occ:1.00
FE E:HEM401 0.0 26.9 1.0
O E:O402 1.8 31.8 1.0
ND E:HEM401 1.9 25.7 1.0
NA E:HEM401 2.0 25.1 1.0
NB E:HEM401 2.0 27.0 1.0
NE2 E:HIS225 2.1 26.8 1.0
NC E:HEM401 2.1 26.0 1.0
C4D E:HEM401 2.9 27.4 1.0
C1D E:HEM401 3.0 27.7 1.0
C1A E:HEM401 3.0 26.0 1.0
C1B E:HEM401 3.0 26.8 1.0
C4A E:HEM401 3.0 27.2 1.0
C4B E:HEM401 3.0 28.1 1.0
CE1 E:HIS225 3.0 30.6 1.0
C4C E:HEM401 3.0 27.0 1.0
C1C E:HEM401 3.1 26.7 1.0
CD2 E:HIS225 3.1 26.5 1.0
CHA E:HEM401 3.4 27.2 1.0
CHB E:HEM401 3.4 27.0 1.0
CHD E:HEM401 3.4 28.2 1.0
CHC E:HEM401 3.4 25.3 1.0
NH1 E:ARG243 3.9 29.2 1.0
ND1 E:HIS225 4.2 28.0 1.0
C2D E:HEM401 4.2 28.1 1.0
C3D E:HEM401 4.2 27.6 1.0
CG E:HIS225 4.2 28.1 1.0
C2B E:HEM401 4.2 27.1 1.0
C2A E:HEM401 4.2 26.8 1.0
C3A E:HEM401 4.2 25.7 1.0
C3C E:HEM401 4.2 26.5 1.0
C2C E:HEM401 4.3 25.9 1.0
ND2 E:ASN245 4.3 29.6 1.0
C3B E:HEM401 4.3 26.7 1.0
CD E:ARG243 4.4 30.1 1.0
CZ E:ARG243 4.7 28.2 1.0
NE E:ARG243 4.8 30.4 1.0

Iron binding site 6 out of 6 in 6yrd

Go back to Iron Binding Sites List in 6yrd
Iron binding site 6 out of 6 in the Sfx Structure of Dye-Type Peroxidase Dtpb 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 in the Ferryl State within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe401

b:24.9
occ:1.00
FE F:HEM401 0.0 24.9 1.0
O F:O402 1.8 26.9 1.0
ND F:HEM401 1.9 23.8 1.0
NA F:HEM401 2.0 23.8 1.0
NB F:HEM401 2.0 25.4 1.0
NC F:HEM401 2.1 25.3 1.0
NE2 F:HIS225 2.1 23.8 1.0
C1D F:HEM401 3.0 24.6 1.0
C4D F:HEM401 3.0 25.1 1.0
C1A F:HEM401 3.0 24.6 1.0
C4A F:HEM401 3.0 23.0 1.0
C1B F:HEM401 3.0 26.6 1.0
C4B F:HEM401 3.0 26.8 1.0
C4C F:HEM401 3.0 25.9 1.0
CE1 F:HIS225 3.1 26.0 1.0
C1C F:HEM401 3.1 25.4 1.0
CD2 F:HIS225 3.1 24.2 1.0
CHB F:HEM401 3.4 24.1 1.0
CHD F:HEM401 3.4 26.3 1.0
CHA F:HEM401 3.4 24.3 1.0
CHC F:HEM401 3.4 23.9 1.0
NH1 F:ARG243 3.9 25.1 1.0
C3A F:HEM401 4.2 22.6 1.0
C2A F:HEM401 4.2 24.4 1.0
ND1 F:HIS225 4.2 25.7 1.0
C2D F:HEM401 4.2 24.6 1.0
C3D F:HEM401 4.2 23.6 1.0
CG F:HIS225 4.2 24.6 1.0
C2B F:HEM401 4.3 25.8 1.0
C3C F:HEM401 4.3 27.1 1.0
C2C F:HEM401 4.3 25.0 1.0
C3B F:HEM401 4.3 25.4 1.0
ND2 F:ASN245 4.3 27.0 1.0
CD F:ARG243 4.4 26.8 1.0
CZ F:ARG243 4.7 26.2 1.0
NE F:ARG243 4.8 26.4 1.0

Reference:

M.Lucic, D.A.Svistunenko, M.T.Wilson, A.K.Chaplin, B.Davy, A.Ebrahim, D.Axford, T.Tosha, H.Sugimoto, S.Owada, F.S.N.Dworkowski, I.Tews, R.L.Owen, M.A.Hough, J.A.R.Worrall. Serial Femtosecond Zero Dose Crystallography Captures A Water-Free Distal Heme Site in A Dye-Decolorising Peroxidase to Reveal A Catalytic Role For An Arginine in Fe IV =O Formation. Angew.Chem.Int.Ed.Engl. V. 59 21656 2020.
ISSN: ESSN 1521-3773
PubMed: 32780931
DOI: 10.1002/ANIE.202008622
Page generated: Wed Aug 7 16:43:11 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