Iron in PDB 7wca: Catpo Mutant - E484A

All present enzymatic activity of Catpo Mutant - E484A:
1.11.1.6;

The structure of Catpo Mutant - E484A, PDB code: 7wca was solved by Y.Yuzugullu Karakus, S.Balci Unver, M.Zengin Karatas, G.Goc, A.R.Pearson, B.Yorke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.43 / 1.78
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	124.79, 120.2, 184.076, 90, 101.72, 90
R / Rfree (%)	16.2 / 20.2

The structure of Catpo Mutant - E484A also contains other interesting chemical elements:

Calcium

(Ca)

10 atoms

The binding sites of Iron atom in the Catpo Mutant - E484A (pdb code 7wca). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Catpo Mutant - E484A, PDB code: 7wca:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Catpo Mutant - E484A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Catpo Mutant - E484A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe705 b:15.2 occ:1.00 FE A:HEM705 0.0 15.2 1.0 ND A:HEM705 1.9 14.6 1.0 OH A:TYR369 1.9 16.4 1.0 NA A:HEM705 2.0 12.5 1.0 NC A:HEM705 2.0 12.6 1.0 NB A:HEM705 2.1 14.7 1.0 C1D A:HEM705 2.9 14.2 1.0 C4D A:HEM705 3.0 14.5 1.0 CZ A:TYR369 3.0 13.8 1.0 C4C A:HEM705 3.0 14.0 1.0 C4A A:HEM705 3.0 14.4 1.0 C1A A:HEM705 3.0 13.7 1.0 C4B A:HEM705 3.0 13.8 1.0 C1B A:HEM705 3.0 13.7 1.0 C1C A:HEM705 3.1 13.2 1.0 CHD A:HEM705 3.4 13.4 1.0 CHB A:HEM705 3.4 14.3 1.0 CHC A:HEM705 3.4 14.7 1.0 CHA A:HEM705 3.4 13.6 1.0 CE2 A:TYR369 3.7 14.8 1.0 CE1 A:TYR369 3.8 13.8 1.0 NE A:ARG365 4.1 13.2 1.0 NH2 A:ARG365 4.2 12.6 1.0 C2D A:HEM705 4.2 14.9 1.0 C3D A:HEM705 4.2 15.8 1.0 C3A A:HEM705 4.2 13.0 1.0 C3C A:HEM705 4.2 13.8 1.0 C2A A:HEM705 4.2 12.9 1.0 C2B A:HEM705 4.3 14.3 1.0 C2C A:HEM705 4.3 13.8 1.0 C3B A:HEM705 4.3 14.7 1.0 O A:HOH1038 4.4 18.9 1.0 CG2 A:VAL81 4.5 13.7 1.0 CZ A:ARG365 4.5 13.0 1.0 CZ A:PHE168 4.6 16.4 1.0 NE2 A:HIS82 4.7 14.2 1.0 CD2 A:HIS82 4.8 14.0 1.0 CE2 A:PHE168 4.9 15.2 1.0 CD2 A:TYR369 5.0 14.1 1.0

Iron binding site 2 out of 4 in the Catpo Mutant - E484A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Catpo Mutant - E484A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe703 b:14.6 occ:1.00 FE B:HEM703 0.0 14.6 1.0 ND B:HEM703 1.9 15.1 1.0 OH B:TYR369 1.9 14.5 1.0 NA B:HEM703 2.0 12.4 1.0 NC B:HEM703 2.1 12.9 1.0 NB B:HEM703 2.1 14.9 1.0 C1D B:HEM703 2.9 14.6 1.0 CZ B:TYR369 2.9 14.0 1.0 C4D B:HEM703 3.0 14.7 1.0 C4C B:HEM703 3.0 14.2 1.0 C1A B:HEM703 3.0 12.9 1.0 C4A B:HEM703 3.0 13.8 1.0 C4B B:HEM703 3.1 14.5 1.0 C1B B:HEM703 3.1 14.0 1.0 C1C B:HEM703 3.1 13.6 1.0 CHD B:HEM703 3.4 15.4 1.0 CHA B:HEM703 3.4 14.1 1.0 CHB B:HEM703 3.4 13.2 1.0 CHC B:HEM703 3.5 13.3 1.0 CE2 B:TYR369 3.7 14.3 1.0 CE1 B:TYR369 3.8 14.1 1.0 NE B:ARG365 4.1 12.5 1.0 C2D B:HEM703 4.2 15.9 1.0 C3D B:HEM703 4.2 15.5 1.0 C3C B:HEM703 4.2 13.8 1.0 C3A B:HEM703 4.2 11.9 1.0 C2A B:HEM703 4.2 12.9 1.0 NH2 B:ARG365 4.2 14.4 1.0 C2C B:HEM703 4.3 13.0 1.0 C2B B:HEM703 4.3 15.1 1.0 C3B B:HEM703 4.3 15.3 1.0 O B:HOH1069 4.4 17.9 1.0 CG2 B:VAL81 4.5 16.1 1.0 CZ B:ARG365 4.6 13.8 1.0 CZ B:PHE168 4.6 16.5 1.0 NE2 B:HIS82 4.8 14.5 1.0 CD2 B:HIS82 4.8 14.6 1.0 CE2 B:PHE168 4.9 17.1 1.0 CD2 B:TYR369 4.9 14.9 1.0

Iron binding site 3 out of 4 in the Catpo Mutant - E484A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Catpo Mutant - E484A within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe703 b:14.9 occ:1.00 FE C:HEM703 0.0 14.9 1.0 ND C:HEM703 1.9 15.5 1.0 OH C:TYR369 2.0 14.9 1.0 NA C:HEM703 2.0 13.9 1.0 NC C:HEM703 2.1 14.7 1.0 NB C:HEM703 2.1 15.1 1.0 C1D C:HEM703 3.0 15.1 1.0 CZ C:TYR369 3.0 15.9 1.0 C4D C:HEM703 3.0 14.7 1.0 C4C C:HEM703 3.0 14.9 1.0 C1A C:HEM703 3.0 14.4 1.0 C4A C:HEM703 3.0 13.5 1.0 C4B C:HEM703 3.1 14.7 1.0 C1B C:HEM703 3.1 14.8 1.0 C1C C:HEM703 3.1 14.2 1.0 CHD C:HEM703 3.4 14.9 1.0 CHA C:HEM703 3.4 13.7 1.0 CHC C:HEM703 3.5 14.5 1.0 CHB C:HEM703 3.5 14.4 1.0 CE2 C:TYR369 3.8 15.2 1.0 CE1 C:TYR369 3.8 15.4 1.0 NE C:ARG365 4.2 13.8 1.0 C3A C:HEM703 4.2 13.4 1.0 C2A C:HEM703 4.2 13.3 1.0 C3C C:HEM703 4.3 14.9 1.0 C2D C:HEM703 4.3 15.5 1.0 NH2 C:ARG365 4.3 13.8 1.0 C3D C:HEM703 4.3 15.1 1.0 C2B C:HEM703 4.3 15.0 1.0 C2C C:HEM703 4.3 14.5 1.0 C3B C:HEM703 4.3 15.5 1.0 O C:HOH1056 4.4 18.8 1.0 CG2 C:VAL81 4.5 13.7 1.0 CZ C:PHE168 4.6 14.6 1.0 CZ C:ARG365 4.6 14.7 1.0 NE2 C:HIS82 4.8 14.3 1.0 CD2 C:HIS82 4.8 12.9 1.0 CE2 C:PHE168 4.9 16.2 1.0

Iron binding site 4 out of 4 in the Catpo Mutant - E484A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Catpo Mutant - E484A within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe703 b:14.6 occ:1.00 FE D:HEM703 0.0 14.6 1.0 OH D:TYR369 1.9 12.4 1.0 ND D:HEM703 2.0 14.1 1.0 NA D:HEM703 2.0 13.4 1.0 NC D:HEM703 2.1 14.7 1.0 NB D:HEM703 2.1 15.4 1.0 C4D D:HEM703 3.0 13.8 1.0 C1D D:HEM703 3.0 13.8 1.0 CZ D:TYR369 3.0 13.8 1.0 C4A D:HEM703 3.0 14.3 1.0 C1A D:HEM703 3.0 14.2 1.0 C4C D:HEM703 3.0 14.7 1.0 C1B D:HEM703 3.1 15.2 1.0 C4B D:HEM703 3.1 15.1 1.0 C1C D:HEM703 3.1 14.4 1.0 CHB D:HEM703 3.4 14.8 1.0 CHD D:HEM703 3.4 14.5 1.0 CHA D:HEM703 3.4 14.1 1.0 CHC D:HEM703 3.5 15.6 1.0 CE2 D:TYR369 3.7 14.1 1.0 CE1 D:TYR369 3.9 13.5 1.0 NE D:ARG365 4.2 14.3 1.0 NH2 D:ARG365 4.2 14.2 1.0 C3D D:HEM703 4.2 15.2 1.0 C3A D:HEM703 4.2 15.0 1.0 C2A D:HEM703 4.2 14.3 1.0 C2D D:HEM703 4.3 14.0 1.0 C3C D:HEM703 4.3 14.8 1.0 C2B D:HEM703 4.3 16.6 1.0 C2C D:HEM703 4.3 14.2 1.0 C3B D:HEM703 4.3 16.1 1.0 O D:HOH1006 4.5 17.3 1.0 CG2 D:VAL81 4.5 13.6 1.0 CZ D:ARG365 4.6 14.9 1.0 CZ D:PHE168 4.7 15.5 1.0 NE2 D:HIS82 4.7 12.4 1.0 CD2 D:HIS82 4.8 12.3 1.0 CD2 D:TYR369 5.0 14.3 1.0

Y.Yuzugullu Karakus, S.Balci Unver, M.Zengin Karatas, G.Goc, A.R.Pearson, B.Yorke. Catpo Mutant - E484A To Be Published.