Iron in PDB 1si8: Crystal Structure of E. Faecalis Catalase

All present enzymatic activity of Crystal Structure of E. Faecalis Catalase:
1.11.1.6;

The structure of Crystal Structure of E. Faecalis Catalase, PDB code: 1si8 was solved by K.O.Hakansson, M.Brugna, L.Tasse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.30
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	236.860, 236.860, 198.070, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 21.8

The structure of Crystal Structure of E. Faecalis Catalase also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Iron atom in the Crystal Structure of E. Faecalis Catalase (pdb code 1si8). 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 E. Faecalis Catalase, PDB code: 1si8:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of E. Faecalis Catalase


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 E. Faecalis Catalase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:22.6 occ:1.00 FE A:HEM501 0.0 22.6 1.0 OH A:TYR337 1.8 15.6 1.0 NC A:HEM501 2.1 33.4 1.0 ND A:HEM501 2.1 27.1 1.0 NA A:HEM501 2.1 26.1 1.0 NB A:HEM501 2.1 30.1 1.0 CZ A:TYR337 2.9 18.6 1.0 C1D A:HEM501 3.1 29.9 1.0 C4C A:HEM501 3.1 33.6 1.0 C1C A:HEM501 3.1 34.2 1.0 C4A A:HEM501 3.1 26.4 1.0 C4D A:HEM501 3.1 27.4 1.0 C1B A:HEM501 3.1 29.6 1.0 C1A A:HEM501 3.1 25.9 1.0 C4B A:HEM501 3.1 32.6 1.0 CHD A:HEM501 3.5 30.5 1.0 CHC A:HEM501 3.5 33.6 1.0 CHB A:HEM501 3.5 28.1 1.0 CHA A:HEM501 3.5 26.3 1.0 CE2 A:TYR337 3.7 18.4 1.0 CE1 A:TYR337 3.8 17.7 1.0 NH2 A:ARG333 4.1 24.6 1.0 NE A:ARG333 4.1 25.5 1.0 C2D A:HEM501 4.2 29.7 1.0 C3A A:HEM501 4.2 25.4 1.0 C2C A:HEM501 4.2 34.3 1.0 C3C A:HEM501 4.2 34.7 1.0 C2B A:HEM501 4.3 29.7 1.0 C3B A:HEM501 4.3 30.7 1.0 C3D A:HEM501 4.3 28.4 1.0 C2A A:HEM501 4.3 24.8 1.0 O A:HOH2226 4.3 37.4 1.0 CZ A:ARG333 4.5 25.7 1.0 CZ A:PHE140 4.6 22.6 1.0 CD2 A:HIS54 4.7 24.9 1.0 CG2 A:VAL53 4.7 18.9 1.0 NE2 A:HIS54 4.8 25.1 1.0

Iron binding site 2 out of 4 in the Crystal Structure of E. Faecalis Catalase


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 E. Faecalis Catalase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:19.3 occ:1.00 FE B:HEM501 0.0 19.3 1.0 OH B:TYR337 1.9 17.1 1.0 NB B:HEM501 2.1 26.3 1.0 NC B:HEM501 2.1 26.6 1.0 ND B:HEM501 2.1 22.2 1.0 NA B:HEM501 2.1 23.0 1.0 CZ B:TYR337 3.0 18.9 1.0 C4B B:HEM501 3.1 26.2 1.0 C1B B:HEM501 3.1 25.9 1.0 C1C B:HEM501 3.1 25.9 1.0 C4A B:HEM501 3.1 22.8 1.0 C4C B:HEM501 3.1 26.0 1.0 C1D B:HEM501 3.1 25.3 1.0 C4D B:HEM501 3.1 22.4 1.0 C1A B:HEM501 3.1 22.9 1.0 CHC B:HEM501 3.4 25.1 1.0 CHB B:HEM501 3.5 23.6 1.0 CHD B:HEM501 3.5 25.5 1.0 CHA B:HEM501 3.5 21.7 1.0 CE2 B:TYR337 3.7 18.9 1.0 CE1 B:TYR337 3.8 17.2 1.0 O B:HOH2127 4.0 31.2 1.0 NE B:ARG333 4.1 26.4 1.0 NH2 B:ARG333 4.1 24.6 1.0 C2B B:HEM501 4.2 25.1 1.0 C3B B:HEM501 4.2 26.7 1.0 C2C B:HEM501 4.2 26.0 1.0 C2D B:HEM501 4.2 24.7 1.0 C3C B:HEM501 4.2 27.1 1.0 C3A B:HEM501 4.2 22.4 1.0 C3D B:HEM501 4.3 23.3 1.0 C2A B:HEM501 4.3 22.4 1.0 CZ B:PHE140 4.5 21.4 1.0 CZ B:ARG333 4.5 26.1 1.0 CG2 B:VAL53 4.7 18.8 1.0 CD2 B:HIS54 4.7 21.4 1.0 NE2 B:HIS54 4.8 21.8 1.0

Iron binding site 3 out of 4 in the Crystal Structure of E. Faecalis Catalase


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 E. Faecalis Catalase within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe501 b:16.3 occ:1.00 FE C:HEM501 0.0 16.3 1.0 OH C:TYR337 1.8 15.2 1.0 NA C:HEM501 2.1 15.4 1.0 ND C:HEM501 2.1 17.6 1.0 NC C:HEM501 2.1 19.7 1.0 NB C:HEM501 2.1 20.6 1.0 CZ C:TYR337 2.9 15.4 1.0 C4A C:HEM501 3.1 15.3 1.0 C1D C:HEM501 3.1 18.0 1.0 C1B C:HEM501 3.1 18.6 1.0 C4C C:HEM501 3.1 20.6 1.0 C1A C:HEM501 3.1 16.2 1.0 C4D C:HEM501 3.1 17.6 1.0 C1C C:HEM501 3.1 21.9 1.0 C4B C:HEM501 3.1 20.1 1.0 CHB C:HEM501 3.5 17.1 1.0 CHD C:HEM501 3.5 19.4 1.0 CHC C:HEM501 3.5 21.2 1.0 CHA C:HEM501 3.5 16.8 1.0 CE2 C:TYR337 3.7 14.9 1.0 CE1 C:TYR337 3.8 14.6 1.0 O C:HOH2197 4.1 27.7 1.0 NE C:ARG333 4.1 23.4 1.0 NH2 C:ARG333 4.1 22.9 1.0 C3A C:HEM501 4.2 15.4 1.0 C2D C:HEM501 4.2 18.3 1.0 C2B C:HEM501 4.2 18.2 1.0 C3C C:HEM501 4.2 21.6 1.0 C3B C:HEM501 4.2 20.1 1.0 C2C C:HEM501 4.2 20.4 1.0 C3D C:HEM501 4.3 16.5 1.0 C2A C:HEM501 4.3 14.5 1.0 CZ C:ARG333 4.5 24.4 1.0 CZ C:PHE140 4.6 16.6 1.0 CG2 C:VAL53 4.7 16.7 1.0 CD2 C:HIS54 4.7 18.3 1.0 NE2 C:HIS54 4.7 19.8 1.0 CD2 C:TYR337 5.0 16.6 1.0

Iron binding site 4 out of 4 in the Crystal Structure of E. Faecalis Catalase


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 E. Faecalis Catalase within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe501 b:19.3 occ:1.00 FE D:HEM501 0.0 19.3 1.0 OH D:TYR337 1.9 10.8 1.0 NA D:HEM501 2.1 14.5 1.0 ND D:HEM501 2.1 17.6 1.0 NB D:HEM501 2.1 17.3 1.0 NC D:HEM501 2.2 20.2 1.0 CZ D:TYR337 2.9 13.0 1.0 C4A D:HEM501 3.1 15.8 1.0 C1A D:HEM501 3.1 15.8 1.0 C4D D:HEM501 3.1 18.2 1.0 C1B D:HEM501 3.1 16.7 1.0 C1D D:HEM501 3.1 17.3 1.0 C4B D:HEM501 3.1 19.8 1.0 C4C D:HEM501 3.1 20.9 1.0 C1C D:HEM501 3.1 20.9 1.0 CHA D:HEM501 3.4 15.9 1.0 CHB D:HEM501 3.5 13.9 1.0 CHD D:HEM501 3.5 19.0 1.0 CHC D:HEM501 3.5 19.9 1.0 CE2 D:TYR337 3.7 12.0 1.0 CE1 D:TYR337 3.8 10.8 1.0 O D:HOH2118 4.0 32.5 1.0 NH2 D:ARG333 4.1 20.1 1.0 NE D:ARG333 4.1 18.1 1.0 C3A D:HEM501 4.2 15.4 1.0 C2A D:HEM501 4.2 15.8 1.0 C2D D:HEM501 4.2 19.5 1.0 C2B D:HEM501 4.2 17.1 1.0 C3D D:HEM501 4.2 18.3 1.0 C3B D:HEM501 4.3 20.7 1.0 C3C D:HEM501 4.3 21.8 1.0 C2C D:HEM501 4.3 20.7 1.0 CZ D:ARG333 4.5 19.9 1.0 CZ D:PHE140 4.6 17.0 1.0 CD2 D:HIS54 4.7 18.1 1.0 CG2 D:VAL53 4.7 16.6 1.0 NE2 D:HIS54 4.7 17.9 1.0 CD2 D:TYR337 5.0 14.1 1.0

K.O.Hakansson, M.Brugna, L.Tasse. The Three-Dimensional Structure of Catalase From Enterococcus Faecalis. Acta Crystallogr.,Sect.D V. 60 1374 2004.
ISSN: ISSN 0907-4449
PubMed: 15272159
DOI: 10.1107/S0907444904012004