Iron in PDB 4enr: Structure of E530I Variant E. Coli Kate

All present enzymatic activity of Structure of E530I Variant E. Coli Kate:
1.11.1.6;

The structure of Structure of E530I Variant E. Coli Kate, PDB code: 4enr was solved by P.C.Loewen, V.Jha, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.20 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	93.580, 132.780, 122.810, 90.00, 109.35, 90.00
R / Rfree (%)	15.8 / 19.3

The binding sites of Iron atom in the Structure of E530I Variant E. Coli Kate (pdb code 4enr). 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 E530I Variant E. Coli Kate, PDB code: 4enr:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of E530I Variant E. Coli Kate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of E530I Variant E. Coli Kate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:6.4 occ:1.00 FE A:HEM801 0.0 6.4 1.0 OH A:TYR415 1.9 7.7 1.0 NC A:HEM801 2.0 6.0 1.0 NA A:HEM801 2.0 5.8 1.0 ND A:HEM801 2.0 6.0 1.0 NB A:HEM801 2.0 6.5 1.0 CZ A:TYR415 3.0 6.9 1.0 C1B A:HEM801 3.0 6.1 1.0 C1D A:HEM801 3.0 6.1 1.0 C4C A:HEM801 3.1 6.1 1.0 C1C A:HEM801 3.1 6.0 1.0 C4B A:HEM801 3.1 6.6 1.0 C1A A:HEM801 3.1 6.2 1.0 C4D A:HEM801 3.1 5.8 1.0 C4A A:HEM801 3.1 5.8 1.0 CHB A:HEM801 3.5 6.1 1.0 CHD A:HEM801 3.5 6.0 1.0 CHC A:HEM801 3.5 6.7 1.0 CHA A:HEM801 3.5 5.8 1.0 CE1 A:TYR415 3.6 7.2 1.0 CE2 A:TYR415 3.9 7.0 1.0 NE A:ARG411 4.1 5.5 1.0 NH2 A:ARG411 4.2 5.6 1.0 C3C A:HEM801 4.3 6.5 1.0 C3B A:HEM801 4.3 7.1 1.0 C2D A:HEM801 4.3 6.2 1.0 C3A A:HEM801 4.3 5.5 1.0 C3D A:HEM801 4.3 6.0 1.0 C2A A:HEM801 4.3 5.7 1.0 C2C A:HEM801 4.3 6.3 1.0 C2B A:HEM801 4.3 6.6 1.0 CZ A:ARG411 4.5 5.7 1.0 CG2 A:VAL127 4.6 6.1 1.0 O A:HOH1171 4.7 24.6 1.0 CZ A:PHE214 4.7 7.3 1.0 CD2 A:HIS128 4.8 6.2 1.0 NE2 A:HIS128 4.9 7.0 1.0 CD1 A:TYR415 4.9 8.7 1.0

Iron binding site 2 out of 4 in the Structure of E530I Variant E. Coli Kate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of E530I Variant E. Coli Kate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe801 b:7.5 occ:1.00 FE B:HEM801 0.0 7.5 1.0 OH B:TYR415 1.9 7.8 1.0 NA B:HEM801 2.0 7.1 1.0 NC B:HEM801 2.0 8.1 1.0 ND B:HEM801 2.0 7.6 1.0 NB B:HEM801 2.1 7.8 1.0 CZ B:TYR415 2.9 7.6 1.0 C4C B:HEM801 3.0 7.9 1.0 C4A B:HEM801 3.1 7.2 1.0 C4B B:HEM801 3.1 7.8 1.0 C1B B:HEM801 3.1 7.5 1.0 C1D B:HEM801 3.1 7.1 1.0 C1A B:HEM801 3.1 6.8 1.0 C1C B:HEM801 3.1 7.8 1.0 C4D B:HEM801 3.1 7.2 1.0 CHC B:HEM801 3.5 7.8 1.0 CHD B:HEM801 3.5 7.7 1.0 CHB B:HEM801 3.5 7.0 1.0 CHA B:HEM801 3.5 6.6 1.0 CE1 B:TYR415 3.6 8.0 1.0 CE2 B:TYR415 3.8 8.0 1.0 NE B:ARG411 4.1 6.1 1.0 NH2 B:ARG411 4.2 6.0 1.0 C3C B:HEM801 4.3 7.9 1.0 C3B B:HEM801 4.3 7.2 1.0 C2B B:HEM801 4.3 7.7 1.0 C3A B:HEM801 4.3 6.6 1.0 C2A B:HEM801 4.4 6.8 1.0 C2D B:HEM801 4.4 7.5 1.0 C2C B:HEM801 4.4 8.1 1.0 C3D B:HEM801 4.4 7.9 1.0 CZ B:ARG411 4.6 6.2 1.0 CG2 B:VAL127 4.7 7.7 1.0 CZ B:PHE214 4.8 9.5 1.0 O B:HOH1216 4.8 30.7 1.0 NE2 B:HIS128 4.8 7.8 1.0 CD2 B:HIS128 4.9 7.1 1.0 CD1 B:TYR415 4.9 8.0 1.0

Iron binding site 3 out of 4 in the Structure of E530I Variant E. Coli Kate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of E530I Variant E. Coli Kate within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe801 b:7.1 occ:1.00 FE C:HEM801 0.0 7.1 1.0 NA C:HEM801 2.0 6.9 1.0 OH C:TYR415 2.0 6.9 1.0 NC C:HEM801 2.0 6.7 1.0 NB C:HEM801 2.0 7.1 1.0 ND C:HEM801 2.0 6.8 1.0 CZ C:TYR415 3.0 7.7 1.0 C1A C:HEM801 3.1 6.6 1.0 C1B C:HEM801 3.1 6.9 1.0 C4A C:HEM801 3.1 6.4 1.0 C4B C:HEM801 3.1 6.9 1.0 C4D C:HEM801 3.1 6.8 1.0 C1D C:HEM801 3.1 7.0 1.0 C1C C:HEM801 3.1 6.8 1.0 C4C C:HEM801 3.1 6.6 1.0 CHD C:HEM801 3.4 7.1 1.0 CHA C:HEM801 3.4 6.6 1.0 CHB C:HEM801 3.5 6.6 1.0 CHC C:HEM801 3.5 7.0 1.0 CE1 C:TYR415 3.6 7.8 1.0 CE2 C:TYR415 3.8 8.2 1.0 NE C:ARG411 4.1 6.2 1.0 NH2 C:ARG411 4.1 6.0 1.0 C3C C:HEM801 4.3 7.6 1.0 C2A C:HEM801 4.3 6.4 1.0 C3B C:HEM801 4.3 7.8 1.0 C3A C:HEM801 4.3 6.4 1.0 C2C C:HEM801 4.3 6.9 1.0 C2D C:HEM801 4.4 7.1 1.0 C2B C:HEM801 4.4 7.1 1.0 C3D C:HEM801 4.4 7.3 1.0 CZ C:ARG411 4.5 6.2 1.0 CG2 C:VAL127 4.6 7.7 1.0 O C:HOH1626 4.8 24.9 1.0 CZ C:PHE214 4.8 8.3 1.0 NE2 C:HIS128 4.8 6.8 1.0 CD2 C:HIS128 4.9 5.6 1.0 CD1 C:TYR415 4.9 8.5 1.0

Iron binding site 4 out of 4 in the Structure of E530I Variant E. Coli Kate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of E530I Variant E. Coli Kate within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe801 b:6.4 occ:1.00 FE D:HEM801 0.0 6.4 1.0 OH D:TYR415 1.9 7.3 1.0 NA D:HEM801 2.0 6.5 1.0 NC D:HEM801 2.0 6.9 1.0 ND D:HEM801 2.0 6.8 1.0 NB D:HEM801 2.1 6.9 1.0 CZ D:TYR415 3.0 6.4 1.0 C4B D:HEM801 3.0 6.7 1.0 C4D D:HEM801 3.1 5.8 1.0 C1A D:HEM801 3.1 5.7 1.0 C4C D:HEM801 3.1 6.5 1.0 C1B D:HEM801 3.1 6.6 1.0 C1C D:HEM801 3.1 6.5 1.0 C4A D:HEM801 3.1 6.2 1.0 C1D D:HEM801 3.1 6.5 1.0 CHC D:HEM801 3.5 6.9 1.0 CHA D:HEM801 3.5 5.6 1.0 CHB D:HEM801 3.5 6.3 1.0 CHD D:HEM801 3.6 6.6 1.0 CE1 D:TYR415 3.6 6.4 1.0 CE2 D:TYR415 3.8 6.7 1.0 NE D:ARG411 4.0 5.4 1.0 NH2 D:ARG411 4.1 5.5 1.0 C2A D:HEM801 4.3 5.8 1.0 C3B D:HEM801 4.3 7.0 1.0 C3D D:HEM801 4.3 6.8 1.0 C3A D:HEM801 4.4 5.8 1.0 C3C D:HEM801 4.4 7.0 1.0 C2D D:HEM801 4.4 6.4 1.0 C2C D:HEM801 4.4 7.1 1.0 C2B D:HEM801 4.4 6.3 1.0 CZ D:ARG411 4.5 5.8 1.0 CG2 D:VAL127 4.6 4.8 1.0 CZ D:PHE214 4.8 8.0 1.0 O D:HOH1045 4.8 23.0 1.0 NE2 D:HIS128 4.8 6.2 1.0 CD2 D:HIS128 4.9 5.6 1.0 CD1 D:TYR415 4.9 7.0 1.0

V.Jha, P.Chelikani, X.Carpena, I.Fita, P.C.Loewen. Influence of Main Channel Structure on H(2)O(2) Access to the Heme Cavity of Catalase Kate of Escherichia Coli. Arch.Biochem.Biophys. V. 526 54 2012.
ISSN: ISSN 0003-9861
PubMed: 22820098
DOI: 10.1016/J.ABB.2012.06.010