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Iron in PDB 8w1x: 2.35-Angstrom Resolution Intermediate Crystal Structure of Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor Soaked with Peroxide For 5 Minutes

Enzymatic activity of 2.35-Angstrom Resolution Intermediate Crystal Structure of Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor Soaked with Peroxide For 5 Minutes

All present enzymatic activity of 2.35-Angstrom Resolution Intermediate Crystal Structure of Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor Soaked with Peroxide For 5 Minutes:
1.11.1.21;

Protein crystallography data

The structure of 2.35-Angstrom Resolution Intermediate Crystal Structure of Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor Soaked with Peroxide For 5 Minutes, PDB code: 8w1x 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) 47.72 / 2.35
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 150.463, 150.463, 155.166, 90, 90, 90
R / Rfree (%) 19.1 / 25.6

Other elements in 8w1x:

The structure of 2.35-Angstrom Resolution Intermediate Crystal Structure of Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor Soaked with Peroxide For 5 Minutes also contains other interesting chemical elements:

Sodium (Na) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the 2.35-Angstrom Resolution Intermediate Crystal Structure of Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor Soaked with Peroxide For 5 Minutes (pdb code 8w1x). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the 2.35-Angstrom Resolution Intermediate Crystal Structure of Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor Soaked with Peroxide For 5 Minutes, PDB code: 8w1x:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 8w1x

Go back to Iron Binding Sites List in 8w1x
Iron binding site 1 out of 2 in the 2.35-Angstrom Resolution Intermediate Crystal Structure of Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor Soaked with Peroxide For 5 Minutes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 2.35-Angstrom Resolution Intermediate Crystal Structure of Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor Soaked with Peroxide For 5 Minutes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe801

b:24.6
occ:1.00
 FE A:HEM801 0.0 24.6 1.0
NA A:HEM801 2.0 25.3 1.0
NC A:HEM801 2.0 24.6 1.0
ND A:HEM801 2.1 25.9 1.0
NB A:HEM801 2.1 25.5 1.0
NE2 A:HIS270 2.3 25.5 1.0
O A:HOH939 2.7 27.4 1.0
C4A A:HEM801 3.0 24.1 1.0
C1B A:HEM801 3.0 28.2 1.0
C4C A:HEM801 3.0 23.2 1.0
C1D A:HEM801 3.0 23.4 1.0
C1C A:HEM801 3.1 26.7 1.0
CD2 A:HIS270 3.1 25.2 1.0
C4B A:HEM801 3.1 29.9 1.0
C1A A:HEM801 3.1 29.9 1.0
C4D A:HEM801 3.1 26.2 1.0
CHB A:HEM801 3.4 23.5 1.0
CHD A:HEM801 3.4 20.3 1.0
CE1 A:HIS270 3.4 30.7 1.0
CHC A:HEM801 3.5 29.7 1.0
CHA A:HEM801 3.5 26.3 1.0
NE1 A:TRP107 4.2 27.6 1.0
C3A A:HEM801 4.2 28.9 1.0
C2B A:HEM801 4.2 29.6 1.0
C2D A:HEM801 4.3 23.3 1.0
C3C A:HEM801 4.3 30.4 1.0
C3B A:HEM801 4.3 26.1 1.0
C2C A:HEM801 4.3 26.9 1.0
C3D A:HEM801 4.3 23.2 1.0
C2A A:HEM801 4.3 29.0 1.0
CG A:HIS270 4.3 30.4 1.0
ND1 A:HIS270 4.4 29.5 1.0
O2 A:OXY802 4.4 34.6 1.0
CD1 A:TRP107 4.5 25.4 1.0

Iron binding site 2 out of 2 in 8w1x

Go back to Iron Binding Sites List in 8w1x
Iron binding site 2 out of 2 in the 2.35-Angstrom Resolution Intermediate Crystal Structure of Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor Soaked with Peroxide For 5 Minutes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 2.35-Angstrom Resolution Intermediate Crystal Structure of Katg From Mycobacterium Tuberculosis with An Myw-Ooh Cofactor Soaked with Peroxide For 5 Minutes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe801

b:23.6
occ:1.00
 FE B:HEM801 0.0 23.6 1.0
ND B:HEM801 1.9 23.8 1.0
NA B:HEM801 2.0 20.9 1.0
NC B:HEM801 2.0 23.8 1.0
NB B:HEM801 2.1 22.3 1.0
NE2 B:HIS270 2.3 27.2 1.0
C1D B:HEM801 2.9 22.5 1.0
O B:HOH948 2.9 26.4 1.0
C4D B:HEM801 2.9 22.4 1.0
C1A B:HEM801 3.0 24.0 1.0
C4C B:HEM801 3.0 21.8 1.0
C4B B:HEM801 3.0 21.8 1.0
C4A B:HEM801 3.0 17.4 1.0
C1C B:HEM801 3.0 23.7 1.0
C1B B:HEM801 3.0 20.9 1.0
CD2 B:HIS270 3.2 23.0 1.0
CHD B:HEM801 3.3 19.5 1.0
CHA B:HEM801 3.4 23.7 1.0
O1 B:TOX107 3.4 30.0 1.0
CE1 B:HIS270 3.4 24.9 1.0
CHC B:HEM801 3.4 21.6 1.0
CHB B:HEM801 3.4 17.6 1.0
C2D B:HEM801 4.1 26.5 1.0
C2A B:HEM801 4.1 23.2 1.0
C3D B:HEM801 4.1 22.7 1.0
C3A B:HEM801 4.1 21.9 1.0
C3C B:HEM801 4.2 21.6 1.0
C2C B:HEM801 4.2 21.8 1.0
NE1 B:TOX107 4.2 25.2 1.0
C2B B:HEM801 4.2 21.5 1.0
C3B B:HEM801 4.2 22.0 1.0
O2 B:TOX107 4.3 31.8 1.0
CG B:HIS270 4.4 28.0 1.0
ND1 B:HIS270 4.4 22.3 1.0
CD1 B:TOX107 4.5 21.1 1.0
O B:HOH917 4.6 26.2 1.0
CH2 B:TRP321 4.9 27.4 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

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