Iron in PDB 1th3: Crystal Structure of Nadph Depleted Bovine Live Catalase Complexed with Cyanide

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

The structure of Crystal Structure of Nadph Depleted Bovine Live Catalase Complexed with Cyanide, PDB code: 1th3 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)	39.21 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.060, 140.110, 226.510, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 26.1

The binding sites of Iron atom in the Crystal Structure of Nadph Depleted Bovine Live Catalase Complexed with Cyanide (pdb code 1th3). 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 Live Catalase Complexed with Cyanide, PDB code: 1th3:
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 Live Catalase Complexed with Cyanide


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 Live Catalase Complexed with Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2000 b:18.9 occ:1.00 FE A:HEM2000 0.0 18.9 1.0 C A:CYN3000 1.6 41.1 1.0 OH A:TYR357 1.8 46.5 1.0 ND A:HEM2000 2.0 26.6 1.0 NA A:HEM2000 2.0 22.7 1.0 NB A:HEM2000 2.0 24.4 1.0 NC A:HEM2000 2.0 33.0 1.0 N A:CYN3000 2.8 48.9 1.0 CZ A:TYR357 2.9 34.3 1.0 C4D A:HEM2000 3.0 22.0 1.0 C1A A:HEM2000 3.0 20.4 1.0 C1D A:HEM2000 3.0 28.3 1.0 C4A A:HEM2000 3.0 18.6 1.0 C4C A:HEM2000 3.0 33.8 1.0 C1B A:HEM2000 3.1 28.1 1.0 C4B A:HEM2000 3.1 29.6 1.0 C1C A:HEM2000 3.1 38.3 1.0 CHA A:HEM2000 3.4 22.7 1.0 CHD A:HEM2000 3.4 26.8 1.0 CHB A:HEM2000 3.4 16.8 1.0 CHC A:HEM2000 3.5 33.4 1.0 CE2 A:TYR357 3.6 32.4 1.0 CE1 A:TYR357 3.8 37.2 1.0 NH2 A:ARG353 3.8 30.2 1.0 NE A:ARG353 4.2 29.9 1.0 C2D A:HEM2000 4.2 25.4 1.0 C2A A:HEM2000 4.2 24.7 1.0 C3D A:HEM2000 4.2 20.0 1.0 C3A A:HEM2000 4.2 27.0 1.0 CZ A:ARG353 4.3 30.6 1.0 C3C A:HEM2000 4.3 41.5 1.0 C2B A:HEM2000 4.3 29.6 1.0 C3B A:HEM2000 4.3 33.1 1.0 C2C A:HEM2000 4.3 38.6 1.0 CZ A:PHE160 4.8 14.6 1.0 CD2 A:TYR357 4.9 34.5 1.0 CE1 A:HIS74 4.9 39.0 1.0 CD1 A:TYR357 5.0 36.8 1.0

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


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 Live Catalase Complexed with Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2001 b:44.5 occ:1.00 FE B:HEM2001 0.0 44.5 1.0 NB B:HEM2001 2.0 26.0 1.0 ND B:HEM2001 2.1 33.1 1.0 NC B:HEM2001 2.1 47.5 1.0 NA B:HEM2001 2.3 31.1 1.0 OH B:TYR357 2.5 5.9 1.0 C4B B:HEM2001 2.9 42.0 1.0 CHC B:HEM2001 2.9 49.7 1.0 C1D B:HEM2001 2.9 34.3 1.0 C1C B:HEM2001 3.1 51.4 1.0 C1B B:HEM2001 3.1 24.6 1.0 CHD B:HEM2001 3.2 41.9 1.0 C4C B:HEM2001 3.3 50.2 1.0 C4A B:HEM2001 3.3 32.1 1.0 C4D B:HEM2001 3.3 31.0 1.0 C1A B:HEM2001 3.3 33.8 1.0 CHB B:HEM2001 3.6 30.0 1.0 CZ B:TYR357 3.6 21.7 1.0 CHA B:HEM2001 3.7 30.1 1.0 NE2 B:HIS74 4.0 25.4 1.0 CD2 B:HIS74 4.0 24.7 1.0 C3B B:HEM2001 4.2 43.4 1.0 C2D B:HEM2001 4.2 32.9 1.0 C2B B:HEM2001 4.3 33.5 1.0 C2C B:HEM2001 4.4 55.6 1.0 CZ B:PHE160 4.4 29.3 1.0 CE1 B:TYR357 4.4 10.0 1.0 CG2 B:VAL73 4.4 13.3 1.0 CE2 B:TYR357 4.4 15.9 1.0 C3D B:HEM2001 4.5 34.2 1.0 C3C B:HEM2001 4.5 56.8 1.0 C3A B:HEM2001 4.6 30.3 1.0 C2A B:HEM2001 4.6 29.4 1.0 CE1 B:PHE160 4.8 28.3 1.0 NH2 B:ARG353 4.8 19.7 1.0 NE B:ARG353 4.9 29.7 1.0

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


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 Live Catalase Complexed with Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe2002 b:32.8 occ:1.00 FE C:HEM2002 0.0 32.8 1.0 OH C:TYR357 1.8 27.2 1.0 NC C:HEM2002 1.9 48.1 1.0 ND C:HEM2002 2.0 36.2 1.0 NB C:HEM2002 2.0 32.2 1.0 NA C:HEM2002 2.2 38.5 1.0 CZ C:TYR357 2.9 26.0 1.0 C4C C:HEM2002 2.9 54.6 1.0 C1D C:HEM2002 3.0 34.1 1.0 C1C C:HEM2002 3.0 51.4 1.0 C4B C:HEM2002 3.0 39.0 1.0 C4D C:HEM2002 3.1 37.1 1.0 C1B C:HEM2002 3.1 39.8 1.0 C1A C:HEM2002 3.2 39.4 1.0 C4A C:HEM2002 3.2 37.0 1.0 CHD C:HEM2002 3.3 45.7 1.0 CHC C:HEM2002 3.4 47.6 1.0 CE2 C:TYR357 3.5 24.9 1.0 CHA C:HEM2002 3.5 40.2 1.0 CHB C:HEM2002 3.6 39.1 1.0 NH2 C:ARG353 3.7 40.0 1.0 NE2 C:HIS74 3.8 42.7 1.0 CE1 C:TYR357 3.9 28.9 1.0 NE C:ARG353 4.1 34.0 1.0 C3C C:HEM2002 4.1 58.3 1.0 C2C C:HEM2002 4.2 54.9 1.0 C2D C:HEM2002 4.2 33.6 1.0 C3B C:HEM2002 4.2 38.0 1.0 C2B C:HEM2002 4.3 39.0 1.0 C3D C:HEM2002 4.3 30.7 1.0 CD2 C:HIS74 4.3 43.2 1.0 CZ C:ARG353 4.4 34.2 1.0 C2A C:HEM2002 4.4 37.7 1.0 C3A C:HEM2002 4.4 35.3 1.0 CE1 C:HIS74 4.6 35.2 1.0 CG2 C:VAL73 4.7 27.1 1.0 CD2 C:TYR357 4.8 31.2 1.0 CG1 C:VAL145 4.9 12.8 1.0

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


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 Live Catalase Complexed with Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe2003 b:31.7 occ:1.00 FE D:HEM2003 0.0 31.7 1.0 NA D:HEM2003 1.9 44.2 1.0 ND D:HEM2003 1.9 40.6 1.0 C D:CYN3001 1.9 57.8 1.0 OH D:TYR357 1.9 34.5 1.0 NC D:HEM2003 2.2 59.1 1.0 N D:CYN3001 2.2 63.5 1.0 NB D:HEM2003 2.3 58.9 1.0 C1A D:HEM2003 2.8 42.8 1.0 C4D D:HEM2003 2.9 38.3 1.0 C4A D:HEM2003 2.9 45.1 1.0 C1D D:HEM2003 3.0 40.0 1.0 C1C D:HEM2003 3.0 63.0 1.0 C4B D:HEM2003 3.1 60.5 1.0 CZ D:TYR357 3.2 33.9 1.0 CHA D:HEM2003 3.3 44.1 1.0 CHC D:HEM2003 3.3 62.7 1.0 C4C D:HEM2003 3.3 61.6 1.0 C1B D:HEM2003 3.4 59.5 1.0 CHD D:HEM2003 3.4 52.7 1.0 CHB D:HEM2003 3.7 53.4 1.0 CE2 D:TYR357 3.9 22.0 1.0 NH2 D:ARG353 4.0 33.3 1.0 NE D:ARG353 4.0 32.4 1.0 C2A D:HEM2003 4.0 45.2 1.0 CE1 D:TYR357 4.1 35.8 1.0 C3A D:HEM2003 4.1 43.9 1.0 C3D D:HEM2003 4.2 31.4 1.0 C2D D:HEM2003 4.2 32.3 1.0 O D:HOH3155 4.2 32.5 1.0 C2C D:HEM2003 4.3 61.9 1.0 CZ D:ARG353 4.3 33.5 1.0 C3B D:HEM2003 4.4 65.7 1.0 C3C D:HEM2003 4.4 64.5 1.0 NE2 D:HIS74 4.4 27.6 1.0 C2B D:HEM2003 4.5 65.8 1.0 CD2 D:HIS74 4.6 27.4 1.0 CZ D:PHE160 4.7 27.3 1.0 CG2 D:VAL73 4.9 21.0 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.