Iron in PDB 1gge: Crystal Structure of Catalase Hpii From Escherichia Coli, Native Structure at 1.9 A Resolution.

All present enzymatic activity of Crystal Structure of Catalase Hpii From Escherichia Coli, Native Structure at 1.9 A Resolution.:
1.11.1.6;

The structure of Crystal Structure of Catalase Hpii From Escherichia Coli, Native Structure at 1.9 A Resolution., PDB code: 1gge was solved by W.R.Melik-Adamyan, J.Bravo, X.Carpena, J.Switala, M.J.Mate, I.Fita, P.C.Loewen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	87.60 / 1.89
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	93.040, 132.340, 121.200, 90.00, 109.63, 90.00
R / Rfree (%)	16.3 / 20.2

The binding sites of Iron atom in the Crystal Structure of Catalase Hpii From Escherichia Coli, Native Structure at 1.9 A Resolution. (pdb code 1gge). 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 Catalase Hpii From Escherichia Coli, Native Structure at 1.9 A Resolution., PDB code: 1gge:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Catalase Hpii From Escherichia Coli, Native Structure at 1.9 A Resolution.


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 Catalase Hpii From Escherichia Coli, Native Structure at 1.9 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe760 b:7.2 occ:1.00 FE A:HDD760 0.0 7.2 1.0 NC A:HDD760 2.0 5.7 1.0 NA A:HDD760 2.1 5.8 1.0 OH A:TYR415 2.1 7.2 1.0 NB A:HDD760 2.1 3.4 1.0 ND A:HDD760 2.1 5.3 1.0 O A:HOH1417 2.4 40.0 1.0 C4C A:HDD760 2.9 5.3 1.0 C1C A:HDD760 3.0 5.5 1.0 C1D A:HDD760 3.0 6.0 1.0 C4B A:HDD760 3.0 5.3 1.0 CZ A:TYR415 3.0 6.0 1.0 C1A A:HDD760 3.1 5.7 1.0 C4A A:HDD760 3.1 4.8 1.0 C1B A:HDD760 3.1 4.8 1.0 C4D A:HDD760 3.2 6.0 1.0 CHA A:HDD760 3.4 5.8 1.0 CHC A:HDD760 3.5 4.7 1.0 CHD A:HDD760 3.5 5.4 1.0 CHB A:HDD760 3.5 4.6 1.0 CE1 A:TYR415 3.6 5.8 1.0 CE2 A:TYR415 3.9 5.5 1.0 NE A:ARG411 4.1 3.4 1.0 C3C A:HDD760 4.1 5.5 1.0 C3B A:HDD760 4.2 4.6 1.0 C2C A:HDD760 4.2 5.2 1.0 NH2 A:ARG411 4.3 3.1 1.0 C2A A:HDD760 4.3 5.2 1.0 C2D A:HDD760 4.3 6.2 1.0 C2B A:HDD760 4.3 5.6 1.0 C3A A:HDD760 4.4 5.3 1.0 C3D A:HDD760 4.4 6.5 1.0 CZ A:ARG411 4.5 3.3 1.0 NE2 A:HIS128 4.7 5.0 1.0 CG2 A:VAL127 4.7 5.1 1.0 CZ A:PHE214 4.7 5.2 1.0 CD2 A:HIS128 4.7 4.7 1.0 O A:HOH1037 4.8 15.3 1.0 CD1 A:TYR415 4.9 6.4 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Catalase Hpii From Escherichia Coli, Native Structure at 1.9 A Resolution.


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 Catalase Hpii From Escherichia Coli, Native Structure at 1.9 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe760 b:7.6 occ:1.00 FE B:HDD760 0.0 7.6 1.0 OH B:TYR415 2.0 7.0 1.0 NC B:HDD760 2.0 5.7 1.0 NB B:HDD760 2.1 5.9 1.0 NA B:HDD760 2.1 6.3 1.0 ND B:HDD760 2.1 6.8 1.0 O B:HOH1380 2.4 28.1 1.0 C1D B:HDD760 2.9 7.0 1.0 CZ B:TYR415 2.9 6.4 1.0 C4C B:HDD760 3.0 5.1 1.0 C1C B:HDD760 3.0 5.4 1.0 C4B B:HDD760 3.0 6.6 1.0 C1B B:HDD760 3.1 5.9 1.0 C1A B:HDD760 3.1 5.9 1.0 C4A B:HDD760 3.1 5.2 1.0 C4D B:HDD760 3.2 7.4 1.0 CHD B:HDD760 3.4 6.9 1.0 CHC B:HDD760 3.5 6.0 1.0 CHB B:HDD760 3.5 5.1 1.0 CHA B:HDD760 3.5 7.1 1.0 CE1 B:TYR415 3.5 6.4 1.0 CE2 B:TYR415 3.9 6.8 1.0 NE B:ARG411 4.1 4.5 1.0 C3B B:HDD760 4.2 6.5 1.0 C3C B:HDD760 4.2 5.5 1.0 C2C B:HDD760 4.2 5.4 1.0 NH2 B:ARG411 4.3 4.0 1.0 C2D B:HDD760 4.3 8.1 1.0 C2A B:HDD760 4.3 5.8 1.0 C2B B:HDD760 4.3 6.4 1.0 C3D B:HDD760 4.4 8.5 1.0 C3A B:HDD760 4.4 5.3 1.0 CZ B:ARG411 4.6 5.5 1.0 CZ B:PHE214 4.7 7.3 1.0 O B:HOH1089 4.7 17.4 1.0 NE2 B:HIS128 4.7 7.4 1.0 CG2 B:VAL127 4.7 4.9 1.0 CD2 B:HIS128 4.8 5.8 1.0 CD1 B:TYR415 4.8 6.4 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Catalase Hpii From Escherichia Coli, Native Structure at 1.9 A Resolution.


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 Catalase Hpii From Escherichia Coli, Native Structure at 1.9 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe760 b:7.9 occ:1.00 FE C:HDD760 0.0 7.9 1.0 NC C:HDD760 2.0 6.9 1.0 OH C:TYR415 2.0 5.1 1.0 NA C:HDD760 2.0 6.5 1.0 ND C:HDD760 2.1 7.0 1.0 NB C:HDD760 2.1 7.3 1.0 O C:HOH1396 2.6 42.6 1.0 C4C C:HDD760 3.0 6.6 1.0 CZ C:TYR415 3.0 6.1 1.0 C1D C:HDD760 3.0 7.5 1.0 C1C C:HDD760 3.0 7.1 1.0 C4B C:HDD760 3.0 7.3 1.0 C1A C:HDD760 3.0 7.1 1.0 C4A C:HDD760 3.1 6.4 1.0 C1B C:HDD760 3.1 6.8 1.0 C4D C:HDD760 3.2 8.1 1.0 CHA C:HDD760 3.4 8.0 1.0 CHD C:HDD760 3.5 6.8 1.0 CHC C:HDD760 3.5 7.5 1.0 CHB C:HDD760 3.5 6.2 1.0 CE1 C:TYR415 3.6 6.0 1.0 CE2 C:TYR415 3.9 6.6 1.0 NE C:ARG411 4.1 4.3 1.0 C3C C:HDD760 4.2 7.8 1.0 C3B C:HDD760 4.2 7.1 1.0 C2C C:HDD760 4.2 7.7 1.0 NH2 C:ARG411 4.2 4.9 1.0 C2A C:HDD760 4.3 6.8 1.0 C2D C:HDD760 4.3 8.1 1.0 C2B C:HDD760 4.3 7.3 1.0 C3A C:HDD760 4.4 6.4 1.0 C3D C:HDD760 4.4 9.0 1.0 CZ C:ARG411 4.6 4.4 1.0 NE2 C:HIS128 4.6 6.2 1.0 CG2 C:VAL127 4.6 5.3 1.0 CD2 C:HIS128 4.7 5.1 1.0 CZ C:PHE214 4.7 5.4 1.0 O C:HOH1131 4.8 16.5 1.0 CD1 C:TYR415 4.9 6.2 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Catalase Hpii From Escherichia Coli, Native Structure at 1.9 A Resolution.


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 Catalase Hpii From Escherichia Coli, Native Structure at 1.9 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe760 b:8.2 occ:1.00 FE D:HDD760 0.0 8.2 1.0 OH D:TYR415 2.0 5.8 1.0 NA D:HDD760 2.0 5.5 1.0 NB D:HDD760 2.1 5.5 1.0 ND D:HDD760 2.1 6.2 1.0 NC D:HDD760 2.2 5.4 1.0 CZ D:TYR415 3.0 4.9 1.0 C1D D:HDD760 3.0 6.3 1.0 C1A D:HDD760 3.0 5.7 1.0 C1B D:HDD760 3.0 5.6 1.0 C4C D:HDD760 3.0 3.4 1.0 C4A D:HDD760 3.1 4.7 1.0 C4B D:HDD760 3.1 6.0 1.0 C1C D:HDD760 3.1 5.3 1.0 C4D D:HDD760 3.1 5.9 1.0 CHA D:HDD760 3.4 5.6 1.0 CHB D:HDD760 3.4 3.6 1.0 CHD D:HDD760 3.5 5.9 1.0 CHC D:HDD760 3.5 5.7 1.0 CE1 D:TYR415 3.6 5.0 1.0 CE2 D:TYR415 3.9 5.4 1.0 NE D:ARG411 4.0 5.2 1.0 NH2 D:ARG411 4.1 5.3 1.0 C3B D:HDD760 4.2 6.6 1.0 C2A D:HDD760 4.2 5.4 1.0 C3C D:HDD760 4.3 5.4 1.0 C2B D:HDD760 4.3 5.8 1.0 C2D D:HDD760 4.3 7.6 1.0 C3A D:HDD760 4.3 5.2 1.0 C2C D:HDD760 4.3 5.5 1.0 C3D D:HDD760 4.4 8.1 1.0 CZ D:ARG411 4.5 6.3 1.0 O D:HOH911 4.6 12.9 1.0 NE2 D:HIS128 4.7 5.5 1.0 CG2 D:VAL127 4.7 5.0 1.0 CZ D:PHE214 4.7 4.6 1.0 CD2 D:HIS128 4.7 5.4 1.0 CD1 D:TYR415 4.9 4.4 1.0

W.Melik-Adamyan, J.Bravo, X.Carpena, J.Switala, M.J.Mate, I.Fita, P.C.Loewen. Substrate Flow in Catalases Deduced From the Crystal Structures of Active Site Variants of Hpii From Escherichia Coli. Proteins V. 44 270 2001.
ISSN: ISSN 0887-3585
PubMed: 11455600
DOI: 10.1002/PROT.1092