Iron in PDB 1th2: Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with Azide

All present enzymatic activity of Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with Azide:
1.11.1.6;

The structure of Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with Azide, PDB code: 1th2 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)	39.09 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.270, 140.930, 230.690, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 28

The binding sites of Iron atom in the Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with Azide (pdb code 1th2). 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 Azide, PDB code: 1th2:
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 Azide


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 Azide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2000 b:47.6 occ:1.00 FE A:HEM2000 0.0 47.6 1.0 NC A:HEM2000 2.0 68.4 1.0 ND A:HEM2000 2.0 53.2 1.0 NA A:HEM2000 2.1 46.2 1.0 NB A:HEM2000 2.1 62.3 1.0 OH A:TYR357 2.5 30.3 1.0 C4D A:HEM2000 3.0 51.9 1.0 C1C A:HEM2000 3.0 73.4 1.0 C1A A:HEM2000 3.1 51.3 1.0 C4C A:HEM2000 3.1 71.7 1.0 C1D A:HEM2000 3.1 49.8 1.0 C4B A:HEM2000 3.1 70.9 1.0 C4A A:HEM2000 3.1 53.6 1.0 C1B A:HEM2000 3.2 63.5 1.0 CHA A:HEM2000 3.4 49.5 1.0 CHC A:HEM2000 3.4 71.7 1.0 CHD A:HEM2000 3.5 61.7 1.0 CHB A:HEM2000 3.6 59.3 1.0 CZ A:TYR357 3.6 36.0 1.0 NE2 A:HIS74 4.1 29.9 1.0 O A:HOH2250 4.1 37.5 1.0 CD2 A:HIS74 4.2 30.4 1.0 NH2 A:ARG353 4.2 54.5 1.0 CE2 A:TYR357 4.2 38.3 1.0 C2C A:HEM2000 4.3 75.8 1.0 C3D A:HEM2000 4.3 46.8 1.0 C2A A:HEM2000 4.3 51.8 1.0 CG2 A:VAL73 4.3 38.8 1.0 C2D A:HEM2000 4.3 49.8 1.0 C3C A:HEM2000 4.3 75.0 1.0 C3A A:HEM2000 4.3 51.4 1.0 C3B A:HEM2000 4.4 75.8 1.0 C2B A:HEM2000 4.4 68.5 1.0 CZ A:PHE160 4.5 34.4 1.0 CE1 A:TYR357 4.6 41.4 1.0 NE A:ARG353 4.6 41.3 1.0 CE1 A:PHE160 4.7 30.9 1.0 CZ A:ARG353 4.8 41.1 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with Azide


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 Azide within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2001 b:47.0 occ:1.00 FE B:HEM2001 0.0 47.0 1.0 NB B:HEM2001 1.9 44.1 1.0 ND B:HEM2001 1.9 47.3 1.0 NA B:HEM2001 2.0 43.4 1.0 NC B:HEM2001 2.0 66.8 1.0 OH B:TYR357 2.1 40.5 1.0 C4B B:HEM2001 2.9 54.8 1.0 C1D B:HEM2001 2.9 50.6 1.0 C4D B:HEM2001 3.0 41.4 1.0 C4C B:HEM2001 3.0 71.5 1.0 C1B B:HEM2001 3.0 43.4 1.0 C1A B:HEM2001 3.0 39.8 1.0 C4A B:HEM2001 3.1 41.7 1.0 CZ B:TYR357 3.1 37.5 1.0 C1C B:HEM2001 3.1 71.1 1.0 CHC B:HEM2001 3.3 63.9 1.0 CHD B:HEM2001 3.3 59.7 1.0 CHA B:HEM2001 3.4 34.8 1.0 CHB B:HEM2001 3.5 38.7 1.0 CE1 B:TYR357 3.7 23.7 1.0 NH2 B:ARG353 4.1 34.6 1.0 C2D B:HEM2001 4.1 44.9 1.0 CE2 B:TYR357 4.1 29.7 1.0 C3B B:HEM2001 4.1 52.8 1.0 C3D B:HEM2001 4.2 46.3 1.0 C2B B:HEM2001 4.2 43.1 1.0 C3C B:HEM2001 4.2 74.8 1.0 C2A B:HEM2001 4.3 44.9 1.0 C2C B:HEM2001 4.3 74.0 1.0 NE B:ARG353 4.3 39.5 1.0 C3A B:HEM2001 4.3 41.9 1.0 CZ B:PHE160 4.4 38.0 1.0 CZ B:ARG353 4.6 33.1 1.0 CD2 B:HIS74 4.9 44.3 1.0 NE2 B:HIS74 4.9 45.7 1.0 CE2 B:PHE160 5.0 39.4 1.0 CD1 B:TYR357 5.0 21.6 1.0 CE1 B:PHE160 5.0 39.1 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with Azide


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 Azide within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe2002 b:50.0 occ:1.00 FE C:HEM2002 0.0 50.0 1.0 NB C:HEM2002 1.9 58.5 1.0 OH C:TYR357 1.9 21.0 1.0 NA C:HEM2002 1.9 59.0 1.0 NC C:HEM2002 2.0 66.1 1.0 ND C:HEM2002 2.0 58.3 1.0 C4A C:HEM2002 3.0 53.4 1.0 C1B C:HEM2002 3.0 58.0 1.0 C4B C:HEM2002 3.0 57.6 1.0 C1A C:HEM2002 3.0 49.8 1.0 CZ C:TYR357 3.0 41.6 1.0 C4D C:HEM2002 3.0 53.7 1.0 C1C C:HEM2002 3.1 70.2 1.0 C4C C:HEM2002 3.1 70.6 1.0 C1D C:HEM2002 3.1 56.9 1.0 CHB C:HEM2002 3.4 52.3 1.0 CHA C:HEM2002 3.4 54.9 1.0 CHC C:HEM2002 3.4 65.8 1.0 CHD C:HEM2002 3.5 62.8 1.0 CE2 C:TYR357 3.8 42.8 1.0 CE1 C:TYR357 3.9 41.2 1.0 NH2 C:ARG353 3.9 60.6 1.0 NE C:ARG353 4.2 55.8 1.0 C2B C:HEM2002 4.2 56.5 1.0 C3A C:HEM2002 4.2 53.5 1.0 C2A C:HEM2002 4.2 48.6 1.0 C3B C:HEM2002 4.2 58.8 1.0 C2C C:HEM2002 4.3 77.0 1.0 C3C C:HEM2002 4.3 77.2 1.0 C3D C:HEM2002 4.3 50.8 1.0 C2D C:HEM2002 4.3 55.8 1.0 CZ C:ARG353 4.5 53.5 1.0 CZ C:PHE160 4.6 42.0 1.0 CG2 C:VAL73 4.9 41.6 1.0 NE2 C:HIS74 4.9 46.1 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Nadph Depleted Bovine Liver Catalase Complexed with Azide


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 Azide within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe2003 b:58.1 occ:1.00 FE D:HEM2003 0.0 58.1 1.0 ND D:HEM2003 1.9 58.5 1.0 NC D:HEM2003 1.9 73.2 1.0 N1 D:AZI3000 1.9 67.4 1.0 OH D:TYR357 2.0 22.1 1.0 NB D:HEM2003 2.0 67.9 1.0 NA D:HEM2003 2.0 63.1 1.0 N2 D:AZI3000 2.8 76.4 1.0 C1D D:HEM2003 2.9 59.7 1.0 C4C D:HEM2003 2.9 75.8 1.0 C4D D:HEM2003 3.0 60.4 1.0 C1C D:HEM2003 3.0 78.0 1.0 C4B D:HEM2003 3.1 72.9 1.0 C1A D:HEM2003 3.1 56.4 1.0 C4A D:HEM2003 3.1 60.5 1.0 C1B D:HEM2003 3.1 65.0 1.0 CZ D:TYR357 3.2 27.8 1.0 CHD D:HEM2003 3.3 66.8 1.0 CHA D:HEM2003 3.4 59.8 1.0 CHC D:HEM2003 3.5 77.0 1.0 CHB D:HEM2003 3.5 58.2 1.0 CE2 D:TYR357 4.0 28.4 1.0 N3 D:AZI3000 4.0 58.0 1.0 CE1 D:TYR357 4.1 23.9 1.0 C2D D:HEM2003 4.2 60.7 1.0 C3C D:HEM2003 4.2 79.6 1.0 C3D D:HEM2003 4.2 56.9 1.0 C2C D:HEM2003 4.2 78.7 1.0 CZ D:PHE160 4.3 47.8 1.0 C2A D:HEM2003 4.3 59.7 1.0 C3B D:HEM2003 4.3 70.9 1.0 NH2 D:ARG353 4.3 37.4 1.0 C3A D:HEM2003 4.4 61.7 1.0 C2B D:HEM2003 4.4 71.5 1.0 NE D:ARG353 4.5 43.7 1.0 CG2 D:VAL73 4.6 22.1 1.0 NE2 D:HIS74 4.7 47.2 1.0 CD2 D:HIS74 4.7 41.4 1.0 CZ D:ARG353 4.7 36.1 1.0 CE1 D:PHE160 4.8 39.6 1.0 CE2 D:PHE160 4.9 38.4 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.