Iron in PDB 1tgu: The Crystal Structure of Bovine Liver Catalase Without Nadph

All present enzymatic activity of The Crystal Structure of Bovine Liver Catalase Without Nadph:
1.11.1.6;

The structure of The Crystal Structure of Bovine Liver Catalase Without Nadph, PDB code: 1tgu was solved by R.Sugadev, D.Balasundaresan, M.N.Ponnuswamy, D.Kumaran, S.Swaminathan, K.Sekar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.530, 139.670, 225.140, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 24.9

The binding sites of Iron atom in the The Crystal Structure of Bovine Liver Catalase Without Nadph (pdb code 1tgu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the The Crystal Structure of Bovine Liver Catalase Without Nadph, PDB code: 1tgu:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the The Crystal Structure of Bovine Liver Catalase Without Nadph


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Bovine Liver Catalase Without Nadph within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2000 b:29.5 occ:1.00 FE A:HEM2000 0.0 29.5 1.0 OH A:TYR357 1.6 5.5 1.0 ND A:HEM2000 1.9 30.9 1.0 NC A:HEM2000 2.0 37.1 1.0 NA A:HEM2000 2.0 28.3 1.0 NB A:HEM2000 2.0 27.1 1.0 CZ A:TYR357 2.8 15.6 1.0 C4D A:HEM2000 3.0 25.5 1.0 C1A A:HEM2000 3.0 27.6 1.0 C1D A:HEM2000 3.0 30.9 1.0 C4C A:HEM2000 3.0 35.6 1.0 C1C A:HEM2000 3.0 36.0 1.0 C4B A:HEM2000 3.1 32.3 1.0 C4A A:HEM2000 3.1 31.8 1.0 C1B A:HEM2000 3.1 30.0 1.0 CHA A:HEM2000 3.4 27.6 1.0 CHD A:HEM2000 3.4 28.9 1.0 CHC A:HEM2000 3.4 38.4 1.0 CHB A:HEM2000 3.5 33.8 1.0 NH2 A:ARG353 3.6 27.3 1.0 O A:HOH2011 3.6 27.4 1.0 CE1 A:TYR357 3.7 19.7 1.0 CE2 A:TYR357 3.7 16.4 1.0 NE A:ARG353 4.1 34.4 1.0 CZ A:PHE160 4.2 1.7 1.0 CZ A:ARG353 4.2 33.4 1.0 C2D A:HEM2000 4.2 30.4 1.0 C3D A:HEM2000 4.2 25.6 1.0 C2A A:HEM2000 4.2 29.9 1.0 C3C A:HEM2000 4.3 46.0 1.0 C2C A:HEM2000 4.3 44.5 1.0 C3A A:HEM2000 4.3 35.5 1.0 CD2 A:HIS74 4.3 29.2 1.0 C3B A:HEM2000 4.3 36.2 1.0 C2B A:HEM2000 4.3 33.6 1.0 CG2 A:VAL73 4.5 19.5 1.0 NE2 A:HIS74 4.5 21.5 1.0 CE1 A:PHE160 4.8 1.7 1.0 CE2 A:PHE160 4.9 4.4 1.0 CD1 A:TYR357 5.0 18.0 1.0

Iron binding site 2 out of 4 in the The Crystal Structure of Bovine Liver Catalase Without Nadph


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of Bovine Liver Catalase Without Nadph within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2001 b:40.3 occ:1.00 FE B:HEM2001 0.0 40.3 1.0 OH B:TYR357 1.6 1.7 1.0 ND B:HEM2001 1.9 37.5 1.0 NC B:HEM2001 2.0 37.2 1.0 NB B:HEM2001 2.0 25.0 1.0 NA B:HEM2001 2.0 34.8 1.0 CZ B:TYR357 2.7 19.1 1.0 C4D B:HEM2001 3.0 40.6 1.0 C4B B:HEM2001 3.0 37.8 1.0 C1A B:HEM2001 3.0 35.1 1.0 C1D B:HEM2001 3.0 32.1 1.0 C4C B:HEM2001 3.0 45.7 1.0 C1C B:HEM2001 3.0 42.2 1.0 C4A B:HEM2001 3.1 30.4 1.0 C1B B:HEM2001 3.1 22.8 1.0 CHC B:HEM2001 3.3 39.7 1.0 CHA B:HEM2001 3.4 39.5 1.0 CHD B:HEM2001 3.4 33.8 1.0 CHB B:HEM2001 3.5 22.1 1.0 CE2 B:TYR357 3.5 19.6 1.0 O B:HOH2020 3.6 35.6 1.0 CE1 B:TYR357 3.6 13.8 1.0 CZ B:PHE160 4.0 23.1 1.0 NE2 B:HIS74 4.1 21.3 1.0 CD2 B:HIS74 4.2 24.4 1.0 C2D B:HEM2001 4.2 33.7 1.0 C3D B:HEM2001 4.2 37.1 1.0 C3B B:HEM2001 4.2 44.2 1.0 C2A B:HEM2001 4.2 35.5 1.0 C3C B:HEM2001 4.3 51.1 1.0 C2C B:HEM2001 4.3 47.0 1.0 C3A B:HEM2001 4.3 37.5 1.0 C2B B:HEM2001 4.3 37.1 1.0 CG2 B:VAL73 4.4 30.9 1.0 CE2 B:PHE160 4.6 22.6 1.0 NH2 B:ARG353 4.7 36.4 1.0 NE B:ARG353 4.8 24.1 1.0 CD2 B:TYR357 4.8 7.9 1.0 CD1 B:TYR357 4.9 10.2 1.0 CE1 B:PHE160 4.9 23.0 1.0

Iron binding site 3 out of 4 in the The Crystal Structure of Bovine Liver Catalase Without Nadph


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Crystal Structure of Bovine Liver Catalase Without Nadph within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe2002 b:33.9 occ:1.00 FE C:HEM2002 0.0 33.9 1.0 OH C:TYR357 1.7 23.2 1.0 NC C:HEM2002 2.0 42.9 1.0 NB C:HEM2002 2.0 32.7 1.0 NA C:HEM2002 2.0 32.2 1.0 ND C:HEM2002 2.1 34.1 1.0 C1C C:HEM2002 3.0 41.2 1.0 CZ C:TYR357 3.0 21.9 1.0 C4B C:HEM2002 3.0 29.6 1.0 C1A C:HEM2002 3.1 26.2 1.0 C4A C:HEM2002 3.1 28.0 1.0 C1B C:HEM2002 3.1 31.8 1.0 C4D C:HEM2002 3.1 31.1 1.0 C4C C:HEM2002 3.1 41.2 1.0 C1D C:HEM2002 3.2 32.3 1.0 O C:HOH2238 3.4 36.4 1.0 CHC C:HEM2002 3.4 36.9 1.0 CHA C:HEM2002 3.5 26.4 1.0 CHB C:HEM2002 3.5 28.7 1.0 CHD C:HEM2002 3.6 38.3 1.0 CE2 C:TYR357 3.8 26.5 1.0 NH2 C:ARG353 3.9 31.2 1.0 CE1 C:TYR357 3.9 18.6 1.0 CZ C:PHE160 4.1 23.2 1.0 CG2 C:VAL73 4.1 19.7 1.0 NE C:ARG353 4.2 24.5 1.0 C3B C:HEM2002 4.3 32.5 1.0 C2C C:HEM2002 4.3 42.1 1.0 C2B C:HEM2002 4.3 33.8 1.0 C2A C:HEM2002 4.3 27.8 1.0 C3A C:HEM2002 4.3 26.2 1.0 C3C C:HEM2002 4.3 44.7 1.0 C3D C:HEM2002 4.4 29.3 1.0 C2D C:HEM2002 4.4 29.5 1.0 NE2 C:HIS74 4.4 15.0 1.0 CD2 C:HIS74 4.5 24.9 1.0 CZ C:ARG353 4.5 30.8 1.0 CE2 C:PHE160 4.7 26.0 1.0 CE1 C:PHE160 4.8 30.4 1.0

Iron binding site 4 out of 4 in the The Crystal Structure of Bovine Liver Catalase Without Nadph


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Crystal Structure of Bovine Liver Catalase Without Nadph within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe2003 b:40.5 occ:1.00 FE D:HEM2003 0.0 40.5 1.0 OH D:TYR357 1.8 3.5 1.0 NB D:HEM2003 1.8 26.3 1.0 NC D:HEM2003 2.0 45.0 1.0 NA D:HEM2003 2.2 36.0 1.0 ND D:HEM2003 2.5 33.1 1.0 C4B D:HEM2003 2.7 39.1 1.0 C1C D:HEM2003 2.8 46.9 1.0 C1B D:HEM2003 2.9 33.0 1.0 CZ D:TYR357 3.1 17.7 1.0 CHC D:HEM2003 3.1 44.3 1.0 C4A D:HEM2003 3.1 28.4 1.0 C4C D:HEM2003 3.2 48.7 1.0 C1A D:HEM2003 3.3 31.8 1.0 CHB D:HEM2003 3.4 24.9 1.0 C4D D:HEM2003 3.5 32.5 1.0 C1D D:HEM2003 3.5 33.3 1.0 CHA D:HEM2003 3.8 36.0 1.0 CD2 D:HIS74 3.8 17.9 1.0 CHD D:HEM2003 3.8 43.6 1.0 CE2 D:TYR357 3.8 14.2 1.0 NE2 D:HIS74 3.8 19.2 1.0 NH2 D:ARG353 3.9 39.8 1.0 CZ D:PHE160 3.9 21.3 1.0 CG2 D:VAL73 3.9 25.3 1.0 C3B D:HEM2003 4.0 38.8 1.0 C2B D:HEM2003 4.0 30.7 1.0 CE1 D:TYR357 4.1 10.4 1.0 O D:HOH2012 4.2 20.4 1.0 C2C D:HEM2003 4.2 51.8 1.0 C3C D:HEM2003 4.3 52.2 1.0 C3A D:HEM2003 4.4 30.2 1.0 C2A D:HEM2003 4.5 28.6 1.0 CE2 D:PHE160 4.5 16.9 1.0 CZ D:ARG353 4.6 41.4 1.0 NE D:ARG353 4.7 41.1 1.0 CE1 D:PHE160 4.7 15.0 1.0 C3D D:HEM2003 4.7 31.1 1.0 C2D D:HEM2003 4.8 33.2 1.0

R.Sugadev, D.Balasundaresan, M.N.Ponnuswamy, D.Kumaran, S.Swaminathan, K.Sekar. The Crystal Structure of Bovine Liver Catalase To Be Published.