Atomistry » Iron » PDB 8va9-8w6y » 8w1w
Atomistry »
  Iron »
    PDB 8va9-8w6y »
      8w1w »

Iron in PDB 8w1w: 2.03 Angstrom Resolution Crystal Structure of As-Isolated Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor

Enzymatic activity of 2.03 Angstrom Resolution Crystal Structure of As-Isolated Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor

All present enzymatic activity of 2.03 Angstrom Resolution Crystal Structure of As-Isolated Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor:
1.11.1.21;

Protein crystallography data

The structure of 2.03 Angstrom Resolution Crystal Structure of As-Isolated Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor, PDB code: 8w1w was solved by A.Liu, J.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.99 / 2.03
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 150.674, 150.674, 311.112, 90, 90, 90
R / Rfree (%) 16.6 / 22.3

Other elements in 8w1w:

The structure of 2.03 Angstrom Resolution Crystal Structure of As-Isolated Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor also contains other interesting chemical elements:

Sodium (Na) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the 2.03 Angstrom Resolution Crystal Structure of As-Isolated Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor (pdb code 8w1w). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the 2.03 Angstrom Resolution Crystal Structure of As-Isolated Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor, PDB code: 8w1w:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 8w1w

Go back to Iron Binding Sites List in 8w1w
Iron binding site 1 out of 4 in the 2.03 Angstrom Resolution Crystal Structure of As-Isolated Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 2.03 Angstrom Resolution Crystal Structure of As-Isolated Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe801

b:13.3
occ:1.00
 FE A:HEM801 0.0 13.3 1.0
ND A:HEM801 2.0 12.4 1.0
NA A:HEM801 2.0 10.5 1.0
NB A:HEM801 2.0 13.4 1.0
NC A:HEM801 2.1 10.6 1.0
NE2 A:HIS270 2.3 14.5 1.0
O2 A:TOX107 2.9 16.9 1.0
C4D A:HEM801 3.0 11.4 1.0
C1D A:HEM801 3.0 11.8 1.0
C1A A:HEM801 3.0 12.3 1.0
C1C A:HEM801 3.0 10.0 1.0
C4C A:HEM801 3.0 9.5 1.0
C4B A:HEM801 3.1 13.4 1.0
C4A A:HEM801 3.1 13.8 1.0
C1B A:HEM801 3.1 13.7 1.0
CD2 A:HIS270 3.1 12.0 1.0
CHD A:HEM801 3.4 11.6 1.0
CE1 A:HIS270 3.4 13.7 1.0
CHA A:HEM801 3.4 13.5 1.0
CHC A:HEM801 3.4 11.4 1.0
CHB A:HEM801 3.5 13.7 1.0
O1 A:TOX107 3.6 15.8 1.0
C3D A:HEM801 4.2 10.3 1.0
C2D A:HEM801 4.2 14.2 1.0
C2C A:HEM801 4.3 10.5 1.0
C2A A:HEM801 4.3 14.0 1.0
C3C A:HEM801 4.3 10.0 1.0
C3B A:HEM801 4.3 12.4 1.0
C2B A:HEM801 4.3 14.9 1.0
C3A A:HEM801 4.3 12.0 1.0
NE1 A:TOX107 4.3 10.4 1.0
CG A:HIS270 4.4 11.4 1.0
ND1 A:HIS270 4.4 12.2 1.0
CD1 A:TOX107 4.6 9.3 1.0
O A:HOH1366 4.7 15.9 1.0
CH2 A:TRP321 4.9 13.0 1.0
CZ2 A:TRP321 5.0 14.3 1.0

Iron binding site 2 out of 4 in 8w1w

Go back to Iron Binding Sites List in 8w1w
Iron binding site 2 out of 4 in the 2.03 Angstrom Resolution Crystal Structure of As-Isolated Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 2.03 Angstrom Resolution Crystal Structure of As-Isolated Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe801

b:12.2
occ:1.00
 FE B:HEM801 0.0 12.2 1.0
NB B:HEM801 1.9 11.1 1.0
NA B:HEM801 2.0 11.6 1.0
ND B:HEM801 2.0 11.1 1.0
NC B:HEM801 2.1 10.0 1.0
NE2 B:HIS270 2.3 11.8 1.0
O2 B:TOX107 2.8 13.9 1.0
C4B B:HEM801 2.9 12.0 1.0
C1B B:HEM801 3.0 11.5 1.0
C4D B:HEM801 3.0 11.3 1.0
C1A B:HEM801 3.0 12.6 1.0
C1C B:HEM801 3.0 8.9 1.0
C4A B:HEM801 3.0 11.8 1.0
C1D B:HEM801 3.0 11.0 1.0
C4C B:HEM801 3.1 9.4 1.0
CD2 B:HIS270 3.2 11.0 1.0
CHC B:HEM801 3.4 12.7 1.0
CHA B:HEM801 3.4 11.5 1.0
CE1 B:HIS270 3.4 10.5 1.0
CHB B:HEM801 3.4 11.9 1.0
CHD B:HEM801 3.5 9.2 1.0
O1 B:TOX107 3.7 18.8 1.0
C3B B:HEM801 4.1 12.3 1.0
C2B B:HEM801 4.1 13.2 1.0
C3D B:HEM801 4.2 8.8 1.0
C2D B:HEM801 4.2 11.2 1.0
C2C B:HEM801 4.3 10.6 1.0
C3A B:HEM801 4.3 13.9 1.0
C2A B:HEM801 4.3 12.2 1.0
C3C B:HEM801 4.3 9.3 1.0
NE1 B:TOX107 4.3 10.9 1.0
CG B:HIS270 4.4 11.2 1.0
ND1 B:HIS270 4.5 11.0 1.0
CD1 B:TOX107 4.6 9.8 1.0
O B:HOH1234 4.8 19.2 1.0
CH2 B:TRP321 4.8 11.2 1.0
CZ2 B:TRP321 4.9 15.7 1.0
O B:HOH1449 4.9 24.1 1.0

Iron binding site 3 out of 4 in 8w1w

Go back to Iron Binding Sites List in 8w1w
Iron binding site 3 out of 4 in the 2.03 Angstrom Resolution Crystal Structure of As-Isolated Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of 2.03 Angstrom Resolution Crystal Structure of As-Isolated Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe801

b:10.9
occ:1.00
 FE C:HEM801 0.0 10.9 1.0
NA C:HEM801 2.0 11.7 1.0
NB C:HEM801 2.0 9.9 1.0
ND C:HEM801 2.1 11.1 1.0
NC C:HEM801 2.1 9.1 1.0
NE2 C:HIS270 2.3 12.7 1.0
O2 C:TOX107 3.0 16.2 1.0
C4B C:HEM801 3.0 11.6 1.0
C1D C:HEM801 3.0 7.8 1.0
C1A C:HEM801 3.0 11.4 1.0
C4D C:HEM801 3.0 11.2 1.0
C1B C:HEM801 3.1 10.6 1.0
C4A C:HEM801 3.1 11.7 1.0
C4C C:HEM801 3.1 9.2 1.0
C1C C:HEM801 3.1 9.0 1.0
CD2 C:HIS270 3.1 9.5 1.0
CHD C:HEM801 3.3 7.7 1.0
CE1 C:HIS270 3.4 10.2 1.0
CHA C:HEM801 3.4 10.2 1.0
CHC C:HEM801 3.4 8.5 1.0
CHB C:HEM801 3.5 12.2 1.0
O1 C:TOX107 3.7 14.7 1.0
C3B C:HEM801 4.2 10.2 1.0
C2D C:HEM801 4.2 8.4 1.0
C2B C:HEM801 4.2 10.9 1.0
C3D C:HEM801 4.2 10.1 1.0
C2A C:HEM801 4.3 10.1 1.0
C3A C:HEM801 4.3 10.3 1.0
C2C C:HEM801 4.3 8.4 1.0
C3C C:HEM801 4.3 7.6 1.0
CG C:HIS270 4.4 11.4 1.0
NE1 C:TOX107 4.4 11.4 1.0
ND1 C:HIS270 4.4 9.2 1.0
CD1 C:TOX107 4.7 9.3 1.0
O C:HOH1336 4.8 16.5 1.0
CH2 C:TRP321 4.9 10.6 1.0
O C:HOH1430 4.9 24.7 1.0
CZ2 C:TRP321 5.0 9.4 1.0

Iron binding site 4 out of 4 in 8w1w

Go back to Iron Binding Sites List in 8w1w
Iron binding site 4 out of 4 in the 2.03 Angstrom Resolution Crystal Structure of As-Isolated Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of 2.03 Angstrom Resolution Crystal Structure of As-Isolated Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe801

b:11.6
occ:1.00
 FE D:HEM801 0.0 11.6 1.0
NC D:HEM801 2.0 8.6 1.0
ND D:HEM801 2.0 9.3 1.0
NB D:HEM801 2.1 9.9 1.0
NA D:HEM801 2.1 10.9 1.0
NE2 D:HIS270 2.3 10.7 1.0
O2 D:TOX107 3.0 15.8 1.0
C4D D:HEM801 3.0 10.8 1.0
C4B D:HEM801 3.0 8.6 1.0
C1C D:HEM801 3.0 10.3 1.0
C1D D:HEM801 3.0 11.0 1.0
C4C D:HEM801 3.0 9.5 1.0
CD2 D:HIS270 3.1 9.5 1.0
C1A D:HEM801 3.1 10.5 1.0
C1B D:HEM801 3.1 11.0 1.0
C4A D:HEM801 3.1 12.1 1.0
CHC D:HEM801 3.4 12.0 1.0
CE1 D:HIS270 3.4 11.7 1.0
CHA D:HEM801 3.4 9.2 1.0
CHD D:HEM801 3.4 8.3 1.0
CHB D:HEM801 3.5 10.5 1.0
O1 D:TOX107 3.6 13.0 1.0
C2D D:HEM801 4.2 10.7 1.0
C3D D:HEM801 4.2 8.6 1.0
C3C D:HEM801 4.3 7.8 1.0
C3B D:HEM801 4.3 11.0 1.0
C2C D:HEM801 4.3 8.0 1.0
C2B D:HEM801 4.3 10.5 1.0
CG D:HIS270 4.3 9.2 1.0
C2A D:HEM801 4.3 12.7 1.0
C3A D:HEM801 4.3 12.9 1.0
NE1 D:TOX107 4.3 11.3 1.0
ND1 D:HIS270 4.4 9.8 1.0
CD1 D:TOX107 4.6 8.4 1.0
CH2 D:TRP321 4.7 10.2 1.0
CZ2 D:TRP321 4.9 11.1 1.0
O D:HOH1347 4.9 17.1 1.0

Reference:

J.Li, R.Duan, E.S.Traore, R.C.Nguyen, I.Davis, W.P.Griffth, D.C.Goodwin, A.A.Jarzecki, A.Liu. Indole-N-Linked Hydroperoxyl Adduct of Protein-Derived Cofactor Modulating Catalase-Peroxidase Functions. Angew.Chem.Int.Ed.Engl. 07018 2024.
ISSN: ESSN 1521-3773
PubMed: 39300819
DOI: 10.1002/ANIE.202407018
Page generated: Thu Oct 31 20:49:22 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