Iron in PDB 1p81: Crystal Structure of the D181E Variant of Catalase Hpii From E. Coli

All present enzymatic activity of Crystal Structure of the D181E Variant of Catalase Hpii From E. Coli:
1.11.1.6;

The structure of Crystal Structure of the D181E Variant of Catalase Hpii From E. Coli, PDB code: 1p81 was solved by P.Chelikani, X.Carpena, I.Fita, P.C.Loewen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.90 / 1.81
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	93.380, 132.860, 122.040, 90.00, 109.50, 90.00
R / Rfree (%)	17.2 / 21.6

The binding sites of Iron atom in the Crystal Structure of the D181E Variant of Catalase Hpii From E. Coli (pdb code 1p81). 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 the D181E Variant of Catalase Hpii From E. Coli, PDB code: 1p81:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of the D181E Variant of Catalase Hpii From E. Coli


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 the D181E Variant of Catalase Hpii From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe760 b:11.3 occ:1.00 FE A:HDD760 0.0 11.3 1.0 NC A:HDD760 2.1 9.0 1.0 OH A:TYR415 2.1 8.8 1.0 NA A:HDD760 2.1 8.7 1.0 NB A:HDD760 2.2 10.3 1.0 ND A:HDD760 2.2 12.3 1.0 O A:HOH4203 2.4 35.1 1.0 C4C A:HDD760 3.0 8.3 1.0 CZ A:TYR415 3.0 6.8 1.0 C1D A:HDD760 3.0 10.9 1.0 C1C A:HDD760 3.0 9.4 1.0 C4B A:HDD760 3.1 8.8 1.0 C4A A:HDD760 3.1 7.7 1.0 C1B A:HDD760 3.1 9.0 1.0 C1A A:HDD760 3.1 10.4 1.0 C4D A:HDD760 3.2 11.2 1.0 CHD A:HDD760 3.5 9.2 1.0 CHC A:HDD760 3.5 9.5 1.0 CHA A:HDD760 3.5 11.1 1.0 CHB A:HDD760 3.5 8.8 1.0 CE1 A:TYR415 3.6 7.7 1.0 CE2 A:TYR415 3.9 6.3 1.0 NE A:ARG411 4.0 7.4 1.0 C3C A:HDD760 4.2 8.8 1.0 NH2 A:ARG411 4.2 5.9 1.0 C3B A:HDD760 4.2 9.6 1.0 C2C A:HDD760 4.3 9.9 1.0 C2D A:HDD760 4.3 12.2 1.0 C2A A:HDD760 4.3 8.6 1.0 C2B A:HDD760 4.3 11.4 1.0 C3A A:HDD760 4.4 8.8 1.0 C3D A:HDD760 4.4 13.1 1.0 CZ A:ARG411 4.5 7.2 1.0 O A:HOH4181 4.5 26.4 1.0 NE2 A:HIS128 4.7 11.2 1.0 CG2 A:VAL127 4.7 8.8 1.0 CZ A:PHE214 4.7 9.5 1.0 CD2 A:HIS128 4.8 11.2 1.0 CD1 A:TYR415 4.8 9.6 1.0

Iron binding site 2 out of 4 in the Crystal Structure of the D181E Variant of Catalase Hpii From E. Coli


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 the D181E Variant of Catalase Hpii From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe760 b:11.2 occ:1.00 FE B:HDD760 0.0 11.2 1.0 NA B:HDD760 2.0 9.3 1.0 OH B:TYR415 2.1 11.3 1.0 NC B:HDD760 2.1 9.6 1.0 NB B:HDD760 2.1 12.5 1.0 ND B:HDD760 2.1 10.5 1.0 O B:HOH4191 2.4 43.4 1.0 CZ B:TYR415 3.0 11.0 1.0 C1D B:HDD760 3.0 11.3 1.0 C4C B:HDD760 3.0 10.4 1.0 C4B B:HDD760 3.0 10.6 1.0 C1C B:HDD760 3.0 11.0 1.0 C4A B:HDD760 3.1 8.6 1.0 C1A B:HDD760 3.1 9.9 1.0 C1B B:HDD760 3.1 10.8 1.0 C4D B:HDD760 3.2 11.7 1.0 CHB B:HDD760 3.5 9.8 1.0 CHC B:HDD760 3.5 10.9 1.0 CHD B:HDD760 3.5 10.9 1.0 CE1 B:TYR415 3.5 10.4 1.0 CHA B:HDD760 3.5 11.2 1.0 CE2 B:TYR415 3.9 11.3 1.0 NE B:ARG411 4.1 8.8 1.0 C3B B:HDD760 4.2 11.8 1.0 C3C B:HDD760 4.2 10.7 1.0 NH2 B:ARG411 4.3 6.6 1.0 C2C B:HDD760 4.3 11.0 1.0 C2D B:HDD760 4.3 12.1 1.0 C2A B:HDD760 4.3 8.1 1.0 C2B B:HDD760 4.3 11.2 1.0 C3A B:HDD760 4.3 8.4 1.0 O B:HOH4182 4.3 24.9 1.0 C3D B:HDD760 4.4 13.1 1.0 CZ B:ARG411 4.6 9.4 1.0 CG2 B:VAL127 4.6 10.0 1.0 CZ B:PHE214 4.6 12.6 1.0 NE2 B:HIS128 4.7 11.2 1.0 CD1 B:TYR415 4.7 10.4 1.0 CD2 B:HIS128 4.8 10.8 1.0

Iron binding site 3 out of 4 in the Crystal Structure of the D181E Variant of Catalase Hpii From E. Coli


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 the D181E Variant of Catalase Hpii From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe760 b:12.0 occ:1.00 FE C:HDD760 0.0 12.0 1.0 NC C:HDD760 2.0 9.8 1.0 NA C:HDD760 2.0 9.2 1.0 OH C:TYR415 2.1 8.9 1.0 NB C:HDD760 2.1 12.5 1.0 ND C:HDD760 2.2 11.6 1.0 C4C C:HDD760 2.9 10.2 1.0 O C:HOH4206 3.0 44.2 1.0 C1D C:HDD760 3.0 11.8 1.0 C1C C:HDD760 3.0 12.2 1.0 C4B C:HDD760 3.0 11.3 1.0 CZ C:TYR415 3.0 9.3 1.0 C4A C:HDD760 3.0 10.1 1.0 C1A C:HDD760 3.1 11.3 1.0 C1B C:HDD760 3.1 11.1 1.0 C4D C:HDD760 3.3 12.5 1.0 CHD C:HDD760 3.4 11.3 1.0 CHC C:HDD760 3.5 12.3 1.0 CHB C:HDD760 3.5 9.7 1.0 CHA C:HDD760 3.5 12.1 1.0 CE1 C:TYR415 3.6 7.6 1.0 CE2 C:TYR415 3.9 7.8 1.0 NE C:ARG411 4.0 8.8 1.0 C3C C:HDD760 4.1 11.7 1.0 NH2 C:ARG411 4.2 10.2 1.0 C2C C:HDD760 4.2 10.7 1.0 C3B C:HDD760 4.2 12.0 1.0 C2A C:HDD760 4.3 10.9 1.0 C3A C:HDD760 4.3 10.6 1.0 C2B C:HDD760 4.3 11.9 1.0 C2D C:HDD760 4.3 12.3 1.0 C3D C:HDD760 4.5 13.7 1.0 CZ C:ARG411 4.5 10.0 1.0 CZ C:PHE214 4.6 11.4 1.0 CG2 C:VAL127 4.7 7.8 1.0 NE2 C:HIS128 4.7 9.8 1.0 CD2 C:HIS128 4.8 10.2 1.0 CD1 C:TYR415 4.8 9.6 1.0 O C:HOH4183 4.9 28.4 1.0 CD C:ARG411 5.0 7.2 1.0

Iron binding site 4 out of 4 in the Crystal Structure of the D181E Variant of Catalase Hpii From E. Coli


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 the D181E Variant of Catalase Hpii From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe760 b:11.2 occ:1.00 FE D:HDD760 0.0 11.2 1.0 OH D:TYR415 2.0 10.5 1.0 NC D:HDD760 2.1 9.3 1.0 NA D:HDD760 2.1 9.8 1.0 NB D:HDD760 2.1 8.9 1.0 ND D:HDD760 2.2 10.1 1.0 O D:HOH4208 2.8 46.1 1.0 CZ D:TYR415 3.0 10.2 1.0 C4C D:HDD760 3.0 9.6 1.0 C1C D:HDD760 3.0 9.3 1.0 C1D D:HDD760 3.0 9.8 1.0 C4B D:HDD760 3.1 8.5 1.0 C1A D:HDD760 3.1 10.7 1.0 C1B D:HDD760 3.1 9.7 1.0 C4A D:HDD760 3.1 9.5 1.0 C4D D:HDD760 3.2 10.6 1.0 CHB D:HDD760 3.4 8.7 1.0 CHC D:HDD760 3.5 10.0 1.0 CHD D:HDD760 3.5 10.0 1.0 CHA D:HDD760 3.5 9.8 1.0 CE1 D:TYR415 3.6 9.8 1.0 CE2 D:TYR415 3.9 10.5 1.0 NE D:ARG411 4.0 8.8 1.0 NH2 D:ARG411 4.1 9.0 1.0 C3B D:HDD760 4.2 9.6 1.0 C3C D:HDD760 4.2 10.2 1.0 C2C D:HDD760 4.3 10.4 1.0 C2A D:HDD760 4.3 8.9 1.0 C2B D:HDD760 4.3 9.7 1.0 C2D D:HDD760 4.3 11.2 1.0 C3A D:HDD760 4.3 9.7 1.0 C3D D:HDD760 4.4 12.7 1.0 CZ D:ARG411 4.5 10.3 1.0 O D:HOH4179 4.6 29.4 1.0 CG2 D:VAL127 4.7 8.9 1.0 CZ D:PHE214 4.7 10.7 1.0 NE2 D:HIS128 4.7 10.6 1.0 CD2 D:HIS128 4.8 10.6 1.0 CD1 D:TYR415 4.9 9.2 1.0

P.Chelikani, X.Carpena, I.Fita, P.C.Loewen. An Electrical Potential in the Access Channel of Catalases Enhances Catalysis J.Biol.Chem. V. 278 31290 2003.
ISSN: ISSN 0021-9258
PubMed: 12777389
DOI: 10.1074/JBC.M304076200