Iron in PDB 4bfl: Structure of Natively Expressed Catalase Hpii

All present enzymatic activity of Structure of Natively Expressed Catalase Hpii:
1.11.1.6;

The structure of Structure of Natively Expressed Catalase Hpii, PDB code: 4bfl was solved by M.Gabrielsen, A.W.Schuttelkopf, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.95 / 1.64
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.402, 171.669, 123.209, 90.00, 104.67, 90.00
R / Rfree (%)	17.43 / 20.2

The binding sites of Iron atom in the Structure of Natively Expressed Catalase Hpii (pdb code 4bfl). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of Natively Expressed Catalase Hpii, PDB code: 4bfl:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of Natively Expressed Catalase Hpii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Natively Expressed Catalase Hpii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1754 b:12.4 occ:1.00 FE A:HEM1754 0.0 12.4 1.0 NA A:HEM1754 1.9 12.6 1.0 NC A:HEM1754 1.9 12.3 1.0 OH A:TYR415 2.0 20.3 1.0 NB A:HEM1754 2.0 12.2 1.0 ND A:HEM1754 2.0 12.5 1.0 CZ A:TYR415 3.0 21.5 1.0 C1A A:HEM1754 3.0 12.7 1.0 C1B A:HEM1754 3.0 12.5 1.0 C4A A:HEM1754 3.0 12.6 1.0 C1C A:HEM1754 3.0 12.3 1.0 C1D A:HEM1754 3.0 12.7 1.0 C4D A:HEM1754 3.0 12.8 1.0 C4B A:HEM1754 3.0 12.4 1.0 C4C A:HEM1754 3.1 12.6 1.0 CHB A:HEM1754 3.4 12.9 1.0 CHA A:HEM1754 3.4 13.2 1.0 CHC A:HEM1754 3.4 12.9 1.0 CHD A:HEM1754 3.5 13.2 1.0 CE2 A:TYR415 3.7 18.8 1.0 CE1 A:TYR415 3.9 17.4 1.0 NE A:ARG411 4.1 16.1 1.0 NH2 A:ARG411 4.1 19.0 1.0 C2A A:HEM1754 4.2 13.1 1.0 C3A A:HEM1754 4.2 13.1 1.0 C3C A:HEM1754 4.2 12.9 1.0 C2C A:HEM1754 4.2 12.9 1.0 C2B A:HEM1754 4.3 12.6 1.0 C2D A:HEM1754 4.3 13.1 1.0 C3D A:HEM1754 4.3 13.1 1.0 C3B A:HEM1754 4.4 12.9 1.0 CZ A:ARG411 4.5 24.7 1.0 O A:HOH2157 4.6 21.6 1.0 CG2 A:VAL127 4.8 15.8 1.0 CZ A:PHE214 4.8 19.4 1.0 NE2 A:HIS128 4.8 17.4 1.0 CD2 A:HIS128 4.8 16.3 1.0 CD2 A:TYR415 4.9 18.6 1.0

Iron binding site 2 out of 4 in the Structure of Natively Expressed Catalase Hpii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Natively Expressed Catalase Hpii within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1754 b:12.1 occ:1.00 FE B:HEM1754 0.0 12.1 1.0 NC B:HEM1754 1.9 12.1 1.0 NA B:HEM1754 2.0 12.3 1.0 OH B:TYR415 2.0 18.8 1.0 NB B:HEM1754 2.0 11.8 1.0 ND B:HEM1754 2.0 12.1 1.0 C1C B:HEM1754 3.0 12.0 1.0 CZ B:TYR415 3.0 21.5 1.0 C1B B:HEM1754 3.0 12.2 1.0 C1A B:HEM1754 3.0 12.5 1.0 C1D B:HEM1754 3.0 12.4 1.0 C4C B:HEM1754 3.0 12.4 1.0 C4B B:HEM1754 3.1 12.1 1.0 C4D B:HEM1754 3.1 12.4 1.0 C4A B:HEM1754 3.1 12.3 1.0 CHC B:HEM1754 3.4 12.7 1.0 CHA B:HEM1754 3.4 12.9 1.0 CHB B:HEM1754 3.4 12.7 1.0 CHD B:HEM1754 3.5 13.0 1.0 CE2 B:TYR415 3.7 17.6 1.0 CE1 B:TYR415 3.8 18.4 1.0 NE B:ARG411 4.1 17.1 1.0 NH2 B:ARG411 4.2 14.7 1.0 C2C B:HEM1754 4.2 12.7 1.0 C3C B:HEM1754 4.2 12.8 1.0 C2A B:HEM1754 4.3 12.9 1.0 C3A B:HEM1754 4.3 12.9 1.0 C2B B:HEM1754 4.3 12.3 1.0 C2D B:HEM1754 4.3 12.8 1.0 C3D B:HEM1754 4.3 12.8 1.0 C3B B:HEM1754 4.4 12.6 1.0 O B:HOH2159 4.5 22.9 1.0 CZ B:ARG411 4.5 24.3 1.0 CZ B:PHE214 4.6 16.9 1.0 CG2 B:VAL127 4.7 15.0 1.0 NE2 B:HIS128 4.7 16.0 1.0 CD2 B:HIS128 4.8 16.2 1.0 CD2 B:TYR415 5.0 17.1 1.0

Iron binding site 3 out of 4 in the Structure of Natively Expressed Catalase Hpii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Natively Expressed Catalase Hpii within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1754 b:12.6 occ:1.00 FE C:HEM1754 0.0 12.6 1.0 NA C:HEM1754 1.9 12.8 1.0 NC C:HEM1754 1.9 12.5 1.0 ND C:HEM1754 2.0 12.6 1.0 OH C:TYR415 2.0 15.1 1.0 NB C:HEM1754 2.0 12.4 1.0 C1A C:HEM1754 3.0 12.9 1.0 C1B C:HEM1754 3.0 12.8 1.0 CZ C:TYR415 3.0 20.9 1.0 C1C C:HEM1754 3.0 12.5 1.0 C1D C:HEM1754 3.0 12.9 1.0 C4C C:HEM1754 3.0 12.8 1.0 C4A C:HEM1754 3.0 12.7 1.0 C4D C:HEM1754 3.0 12.9 1.0 C4B C:HEM1754 3.0 12.7 1.0 CHA C:HEM1754 3.4 13.3 1.0 CHB C:HEM1754 3.4 13.2 1.0 CHC C:HEM1754 3.4 13.2 1.0 CHD C:HEM1754 3.5 13.4 1.0 CE2 C:TYR415 3.7 16.6 1.0 CE1 C:TYR415 3.9 16.9 1.0 NE C:ARG411 4.1 19.0 1.0 C2A C:HEM1754 4.2 13.3 1.0 C3C C:HEM1754 4.2 13.2 1.0 NH2 C:ARG411 4.2 16.7 1.0 C2C C:HEM1754 4.2 13.1 1.0 C3A C:HEM1754 4.2 13.2 1.0 C2B C:HEM1754 4.3 12.9 1.0 C3B C:HEM1754 4.3 13.1 1.0 C2D C:HEM1754 4.3 13.3 1.0 C3D C:HEM1754 4.3 13.2 1.0 O C:HOH2087 4.5 18.0 1.0 CZ C:ARG411 4.6 26.2 1.0 CG2 C:VAL127 4.7 11.2 1.0 CZ C:PHE214 4.7 17.7 1.0 NE2 C:HIS128 4.7 17.3 1.0 CD2 C:HIS128 4.8 17.0 1.0 CD2 C:TYR415 5.0 16.1 1.0

Iron binding site 4 out of 4 in the Structure of Natively Expressed Catalase Hpii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Natively Expressed Catalase Hpii within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe1754 b:12.2 occ:1.00 FE D:HEM1754 0.0 12.2 1.0 OH D:TYR415 2.0 15.2 1.0 NC D:HEM1754 2.0 12.1 1.0 ND D:HEM1754 2.0 12.2 1.0 NB D:HEM1754 2.0 11.9 1.0 NA D:HEM1754 2.0 12.4 1.0 CZ D:TYR415 3.0 12.4 1.0 C4B D:HEM1754 3.0 12.1 1.0 C1D D:HEM1754 3.0 12.6 1.0 C1B D:HEM1754 3.0 12.2 1.0 C4C D:HEM1754 3.0 12.4 1.0 C1C D:HEM1754 3.0 12.0 1.0 C4D D:HEM1754 3.1 12.5 1.0 C1A D:HEM1754 3.1 12.6 1.0 C4A D:HEM1754 3.1 12.4 1.0 CHC D:HEM1754 3.4 12.6 1.0 CHD D:HEM1754 3.4 13.0 1.0 CHB D:HEM1754 3.5 12.7 1.0 CHA D:HEM1754 3.5 13.0 1.0 CE2 D:TYR415 3.7 15.7 1.0 CE1 D:TYR415 3.8 14.8 1.0 NE D:ARG411 4.1 18.5 1.0 NH2 D:ARG411 4.2 18.5 1.0 C2C D:HEM1754 4.3 12.6 1.0 C2B D:HEM1754 4.3 12.3 1.0 C3C D:HEM1754 4.3 12.7 1.0 C2D D:HEM1754 4.3 13.0 1.0 C2A D:HEM1754 4.3 13.0 1.0 C3B D:HEM1754 4.3 12.5 1.0 C3D D:HEM1754 4.3 13.0 1.0 C3A D:HEM1754 4.3 12.9 1.0 O D:HOH2074 4.5 19.9 1.0 CZ D:ARG411 4.6 24.0 1.0 CG2 D:VAL127 4.7 15.4 1.0 CZ D:PHE214 4.7 18.7 1.0 NE2 D:HIS128 4.7 17.8 1.0 CD2 D:HIS128 4.8 17.7 1.0 CD2 D:TYR415 4.9 15.5 1.0

M.Gabrielsen, A.W.Schuttelkopf, S.N.Akpunarlieva. Accidents Happen: Crystallisation of Catalase From A Mixed Protein Solution To Be Published.