Iron in PDB 1th4: Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole

All present enzymatic activity of Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole:
1.11.1.6;

The structure of Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole, PDB code: 1th4 was solved by R.Sugadev, 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)	39.90 / 2.98
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.030, 141.090, 231.000, 90.00, 90.00, 90.00
R / Rfree (%)	23.5 / 29.2

The binding sites of Iron atom in the Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole (pdb code 1th4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole, PDB code: 1th4:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole


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 Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2000 b:83.9 occ:1.00 FE A:HEM2000 0.0 83.9 1.0 NC A:HEM2000 2.0 98.1 1.0 ND A:HEM2000 2.0 89.1 1.0 NA A:HEM2000 2.2 83.4 1.0 NB A:HEM2000 2.3 91.4 1.0 OH A:TYR357 2.3 50.1 1.0 C4D A:HEM2000 3.0 84.7 1.0 C1C A:HEM2000 3.0 98.8 1.0 C4C A:HEM2000 3.1 0.5 1.0 C1D A:HEM2000 3.1 92.8 1.0 C1A A:HEM2000 3.1 82.9 1.0 C4B A:HEM2000 3.2 94.5 1.0 C4A A:HEM2000 3.3 82.7 1.0 C1B A:HEM2000 3.3 93.6 1.0 CHA A:HEM2000 3.4 81.5 1.0 CHC A:HEM2000 3.5 96.0 1.0 CHD A:HEM2000 3.5 98.7 1.0 CZ A:TYR357 3.7 52.0 1.0 CHB A:HEM2000 3.7 89.1 1.0 O A:HOH2154 4.1 33.6 1.0 C3D A:HEM2000 4.3 82.9 1.0 C2C A:HEM2000 4.3 0.8 1.0 C2D A:HEM2000 4.3 88.1 1.0 C3C A:HEM2000 4.3 0.8 1.0 C2A A:HEM2000 4.4 86.5 1.0 CE2 A:TYR357 4.4 51.3 1.0 C3A A:HEM2000 4.4 82.6 1.0 C3B A:HEM2000 4.5 98.3 1.0 CD A:ARG353 4.5 80.5 1.0 NE A:ARG353 4.5 95.0 1.0 C2B A:HEM2000 4.5 99.7 1.0 CE1 A:TYR357 4.6 49.9 1.0 CG A:ARG353 4.9 66.4 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole


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 Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2001 b:64.2 occ:1.00 FE B:HEM2001 0.0 64.2 1.0 ND B:HEM2001 2.0 61.7 1.0 NB B:HEM2001 2.0 33.4 1.0 NA B:HEM2001 2.0 54.7 1.0 NC B:HEM2001 2.3 56.0 1.0 OH B:TYR357 2.8 6.4 1.0 C4D B:HEM2001 3.0 62.9 1.0 C4B B:HEM2001 3.0 23.6 1.0 C1A B:HEM2001 3.0 57.4 1.0 C1D B:HEM2001 3.0 59.5 1.0 C4A B:HEM2001 3.1 50.1 1.0 C1B B:HEM2001 3.1 34.6 1.0 C1C B:HEM2001 3.2 56.4 1.0 CHC B:HEM2001 3.3 36.7 1.0 CHA B:HEM2001 3.4 63.5 1.0 C4C B:HEM2001 3.4 66.2 1.0 CHB B:HEM2001 3.5 36.2 1.0 CZ B:TYR357 3.8 23.4 1.0 CHD B:HEM2001 3.8 63.4 1.0 CD2 B:HIS74 3.9 38.3 1.0 NE2 B:HIS74 4.2 43.0 1.0 C3B B:HEM2001 4.2 28.4 1.0 C2D B:HEM2001 4.2 57.8 1.0 C3D B:HEM2001 4.2 59.0 1.0 C2A B:HEM2001 4.2 49.5 1.0 C3A B:HEM2001 4.3 45.9 1.0 C2B B:HEM2001 4.3 30.3 1.0 CE2 B:TYR357 4.3 28.0 1.0 C2C B:HEM2001 4.5 65.5 1.0 NH2 B:ARG353 4.6 38.5 1.0 C3C B:HEM2001 4.6 70.3 1.0 CE1 B:TYR357 4.6 29.1 1.0 CG B:HIS74 4.6 39.3 1.0 CB B:VAL73 4.6 24.6 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe2002 b:68.1 occ:1.00 FE C:HEM2002 0.0 68.1 1.0 ND C:HEM2002 1.9 68.9 1.0 NC C:HEM2002 2.0 66.5 1.0 NA C:HEM2002 2.0 67.2 1.0 NB C:HEM2002 2.0 55.9 1.0 OH C:TYR357 2.8 36.0 1.0 C4D C:HEM2002 3.0 67.9 1.0 C1A C:HEM2002 3.0 70.6 1.0 C1D C:HEM2002 3.0 63.7 1.0 C4C C:HEM2002 3.0 71.4 1.0 C1C C:HEM2002 3.0 66.3 1.0 C4A C:HEM2002 3.1 58.1 1.0 C4B C:HEM2002 3.1 51.8 1.0 C1B C:HEM2002 3.1 57.8 1.0 CHA C:HEM2002 3.4 72.5 1.0 CHD C:HEM2002 3.4 67.2 1.0 CHC C:HEM2002 3.4 55.7 1.0 CHB C:HEM2002 3.5 53.5 1.0 CG2 C:VAL73 3.7 4.2 1.0 CZ C:TYR357 3.8 52.7 1.0 CD2 C:HIS74 4.1 30.2 1.0 CE2 C:TYR357 4.2 49.7 1.0 NE2 C:HIS74 4.2 23.3 1.0 C2D C:HEM2002 4.2 62.2 1.0 C3D C:HEM2002 4.2 63.4 1.0 C2A C:HEM2002 4.2 62.0 1.0 C3C C:HEM2002 4.3 75.6 1.0 C2C C:HEM2002 4.3 72.1 1.0 C3A C:HEM2002 4.3 56.2 1.0 C3B C:HEM2002 4.3 52.0 1.0 C2B C:HEM2002 4.3 55.1 1.0 NH1 C:ARG353 4.6 52.4 1.0 CZ C:PHE160 4.6 46.8 1.0 CE1 C:TYR357 4.9 55.3 1.0 CG C:HIS74 4.9 30.8 1.0 CB C:VAL73 5.0 14.5 1.0 CE1 C:HIS74 5.0 33.1 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with 3-Amino-1,2,4-Triazole within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe2003 b:51.4 occ:1.00 FE D:HEM2003 0.0 51.4 1.0 NC D:HEM2003 1.8 51.6 1.0 NA D:HEM2003 1.9 36.8 1.0 ND D:HEM2003 2.0 41.8 1.0 NB D:HEM2003 2.0 38.6 1.0 OH D:TYR357 2.2 4.2 1.0 N3A D:3TR3074 2.5 0.8 1.0 C3 D:3TR3074 2.8 99.3 1.0 C1C D:HEM2003 2.8 55.1 1.0 C4C D:HEM2003 2.8 56.0 1.0 C1A D:HEM2003 2.9 35.4 1.0 C4A D:HEM2003 3.0 34.4 1.0 C1D D:HEM2003 3.0 43.8 1.0 C4D D:HEM2003 3.0 36.0 1.0 C1B D:HEM2003 3.0 38.8 1.0 C4B D:HEM2003 3.1 46.4 1.0 N4 D:3TR3074 3.1 96.9 1.0 CHC D:HEM2003 3.2 50.7 1.0 CHD D:HEM2003 3.3 48.7 1.0 CZ D:TYR357 3.3 18.0 1.0 CHB D:HEM2003 3.4 30.1 1.0 N2 D:3TR3074 3.4 99.8 1.0 CHA D:HEM2003 3.4 42.8 1.0 NH2 D:ARG353 3.6 52.8 1.0 CE2 D:TYR357 3.8 21.1 1.0 C5 D:3TR3074 3.9 90.0 1.0 C2C D:HEM2003 4.0 55.1 1.0 C3C D:HEM2003 4.1 59.2 1.0 N1 D:3TR3074 4.1 94.6 1.0 C2A D:HEM2003 4.2 34.1 1.0 C3A D:HEM2003 4.2 33.3 1.0 C2D D:HEM2003 4.3 40.4 1.0 C3D D:HEM2003 4.3 34.9 1.0 C2B D:HEM2003 4.3 47.1 1.0 C3B D:HEM2003 4.3 46.9 1.0 NE D:ARG353 4.4 45.4 1.0 CE1 D:TYR357 4.4 18.5 1.0 CD2 D:HIS74 4.4 69.0 1.0 CZ D:ARG353 4.4 51.3 1.0 CG2 D:VAL73 4.4 57.8 1.0 NE2 D:HIS74 4.5 77.3 1.0 CZ D:PHE160 4.9 28.6 1.0

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