Iron in PDB 2ccd: Crystal Structure of the Catalase-Peroxidase (Katg) and S315T Mutant From Mycobacterium Tuberculosis

The structure of Crystal Structure of the Catalase-Peroxidase (Katg) and S315T Mutant From Mycobacterium Tuberculosis, PDB code: 2ccd was solved by H.Yu, J.C.Sacchettini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.1
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	149.807, 149.807, 154.493, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 27.6

The binding sites of Iron atom in the Crystal Structure of the Catalase-Peroxidase (Katg) and S315T Mutant From Mycobacterium Tuberculosis (pdb code 2ccd). 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 the Catalase-Peroxidase (Katg) and S315T Mutant From Mycobacterium Tuberculosis, PDB code: 2ccd:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Catalase-Peroxidase (Katg) and S315T Mutant From Mycobacterium Tuberculosis


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 the Catalase-Peroxidase (Katg) and S315T Mutant From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1741 b:12.6 occ:1.00 FE A:HEM1741 0.0 12.6 1.0 NA A:HEM1741 1.9 9.5 1.0 ND A:HEM1741 2.0 7.7 1.0 NC A:HEM1741 2.1 7.6 1.0 NB A:HEM1741 2.2 8.1 1.0 NE2 A:HIS270 2.5 16.2 1.0 C1A A:HEM1741 2.9 8.3 1.0 C4D A:HEM1741 3.0 7.2 1.0 C4A A:HEM1741 3.0 9.3 1.0 C1D A:HEM1741 3.0 7.1 1.0 C4C A:HEM1741 3.1 7.6 1.0 CD2 A:HIS270 3.1 13.7 1.0 C1B A:HEM1741 3.2 7.5 1.0 C1C A:HEM1741 3.2 7.2 1.0 CHA A:HEM1741 3.2 7.1 1.0 C4B A:HEM1741 3.2 9.1 1.0 CHD A:HEM1741 3.4 6.7 1.0 CHB A:HEM1741 3.5 8.8 1.0 CE1 A:HIS270 3.5 14.8 1.0 CHC A:HEM1741 3.6 6.4 1.0 C2A A:HEM1741 4.1 6.2 1.0 C3A A:HEM1741 4.2 6.7 1.0 C3D A:HEM1741 4.2 5.2 1.0 C2D A:HEM1741 4.2 6.1 1.0 CG A:HIS270 4.3 14.3 1.0 C3C A:HEM1741 4.4 5.4 1.0 C2C A:HEM1741 4.4 5.5 1.0 C2B A:HEM1741 4.4 9.2 1.0 O A:HOH2037 4.4 21.8 1.0 NE1 A:TRP107 4.4 9.5 1.0 C3B A:HEM1741 4.5 10.2 1.0 ND1 A:HIS270 4.5 14.1 1.0 CD1 A:TRP107 4.6 9.1 1.0 CH2 A:TRP321 4.7 16.6 1.0 CZ2 A:TRP321 4.9 16.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Catalase-Peroxidase (Katg) and S315T Mutant From Mycobacterium Tuberculosis


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 the Catalase-Peroxidase (Katg) and S315T Mutant From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1741 b:10.3 occ:1.00 FE B:HEM1741 0.0 10.3 1.0 NA B:HEM1741 1.9 7.5 1.0 NC B:HEM1741 2.0 6.1 1.0 NB B:HEM1741 2.1 6.2 1.0 ND B:HEM1741 2.2 7.4 1.0 NE2 B:HIS270 2.4 18.3 1.0 C1A B:HEM1741 2.9 9.4 1.0 C1C B:HEM1741 2.9 7.1 1.0 C4B B:HEM1741 3.0 5.8 1.0 C4D B:HEM1741 3.0 7.3 1.0 C4A B:HEM1741 3.1 7.5 1.0 CD2 B:HIS270 3.1 17.4 1.0 C1B B:HEM1741 3.2 5.6 1.0 C4C B:HEM1741 3.2 6.1 1.0 CHA B:HEM1741 3.2 7.8 1.0 C1D B:HEM1741 3.2 5.1 1.0 CHC B:HEM1741 3.2 6.2 1.0 CE1 B:HIS270 3.5 19.5 1.0 CHB B:HEM1741 3.5 6.8 1.0 CHD B:HEM1741 3.6 6.3 1.0 C2A B:HEM1741 4.1 8.6 1.0 C3A B:HEM1741 4.2 8.7 1.0 NE1 B:TRP107 4.2 10.6 1.0 C2C B:HEM1741 4.2 4.8 1.0 C3B B:HEM1741 4.3 5.7 1.0 C3D B:HEM1741 4.3 5.9 1.0 C2B B:HEM1741 4.3 5.3 1.0 CG B:HIS270 4.3 16.8 1.0 C3C B:HEM1741 4.3 6.2 1.0 C2D B:HEM1741 4.4 5.2 1.0 ND1 B:HIS270 4.5 19.1 1.0 O B:HOH2047 4.5 8.2 1.0 CD1 B:TRP107 4.6 8.8 1.0 CH2 B:TRP321 4.7 15.2 1.0 O B:HOH2046 4.8 18.2 1.0 CZ2 B:TRP321 4.9 15.7 1.0

X.Zhao, H.Yu, S.Yu, F.Wang, J.C.Sacchettini, R.S.Magliozzo. Hydrogen Peroxide-Mediated Isoniazid Activation Catalyzed By Mycobacterium Tuberculosis Catalase- Peroxidase (Katg) and Its S315T Mutant. Biochemistry V. 45 4131 2006.
ISSN: ISSN 0006-2960
PubMed: 16566587
DOI: 10.1021/BI051967O