Iron in PDB 5yem: Catpo Mutant - T188F

All present enzymatic activity of Catpo Mutant - T188F:
1.11.1.6;

The structure of Catpo Mutant - T188F, PDB code: 5yem was solved by Y.Yuzugullu Karakus, S.Balci, 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)	112.89 / 1.49
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	125.109, 121.539, 186.025, 90.00, 101.82, 90.00
R / Rfree (%)	15.8 / 18.7

The structure of Catpo Mutant - T188F also contains other interesting chemical elements:

Calcium

(Ca)

10 atoms

The binding sites of Iron atom in the Catpo Mutant - T188F (pdb code 5yem). 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 - T188F, PDB code: 5yem:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Catpo Mutant - T188F


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Catpo Mutant - T188F within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe704 b:10.1 occ:1.00 FE A:HEM704 0.0 10.1 1.0 ND A:HEM704 2.0 9.3 1.0 NA A:HEM704 2.0 8.3 1.0 OH A:TYR369 2.0 10.6 1.0 NC A:HEM704 2.1 8.5 1.0 NB A:HEM704 2.1 9.5 1.0 O A:HOH1277 2.7 26.3 1.0 CZ A:TYR369 3.0 8.9 1.0 C1D A:HEM704 3.0 7.9 1.0 C1A A:HEM704 3.0 8.2 1.0 C4D A:HEM704 3.0 8.2 1.0 C4B A:HEM704 3.0 9.5 1.0 C4A A:HEM704 3.1 8.8 1.0 C4C A:HEM704 3.1 8.1 1.0 C1B A:HEM704 3.1 8.8 1.0 C1C A:HEM704 3.1 8.9 1.0 CHD A:HEM704 3.4 7.9 1.0 CHA A:HEM704 3.4 7.8 1.0 CHC A:HEM704 3.4 9.0 1.0 CHB A:HEM704 3.5 8.5 1.0 CE2 A:TYR369 3.8 8.5 1.0 CE1 A:TYR369 3.8 9.6 1.0 NE A:ARG365 4.1 8.2 1.0 NH2 A:ARG365 4.2 7.7 1.0 C3A A:HEM704 4.2 8.1 1.0 C2A A:HEM704 4.2 8.0 1.0 C3C A:HEM704 4.2 9.1 1.0 C2B A:HEM704 4.2 9.4 1.0 C3B A:HEM704 4.3 9.7 1.0 C3D A:HEM704 4.3 8.7 1.0 C2D A:HEM704 4.3 8.2 1.0 C2C A:HEM704 4.3 8.7 1.0 O A:HOH1109 4.4 13.5 1.0 CG2 A:VAL81 4.5 8.9 1.0 CZ A:ARG365 4.6 7.8 1.0 NE2 A:HIS82 4.7 8.6 1.0 CZ A:PHE168 4.7 9.8 1.0 CD2 A:HIS82 4.7 8.3 1.0 CE2 A:PHE168 4.9 9.1 1.0

Iron binding site 2 out of 4 in the Catpo Mutant - T188F


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Catpo Mutant - T188F within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe703 b:10.6 occ:1.00 FE B:HEM703 0.0 10.6 1.0 ND B:HEM703 2.0 8.4 1.0 NA B:HEM703 2.0 8.5 1.0 OH B:TYR369 2.1 9.5 1.0 NC B:HEM703 2.1 8.3 1.0 NB B:HEM703 2.1 9.6 1.0 O B:HOH1249 2.7 30.6 1.0 C4B B:HEM703 3.0 9.7 1.0 CZ B:TYR369 3.0 9.4 1.0 C4D B:HEM703 3.0 8.8 1.0 C4A B:HEM703 3.0 8.7 1.0 C1D B:HEM703 3.1 7.9 1.0 C1A B:HEM703 3.1 8.4 1.0 C1C B:HEM703 3.1 8.9 1.0 C4C B:HEM703 3.1 8.7 1.0 C1B B:HEM703 3.1 9.1 1.0 CHC B:HEM703 3.4 9.2 1.0 CHA B:HEM703 3.4 8.5 1.0 CHD B:HEM703 3.4 9.7 1.0 CHB B:HEM703 3.5 9.5 1.0 CE2 B:TYR369 3.8 9.9 1.0 CE1 B:TYR369 3.8 10.2 1.0 NE B:ARG365 4.1 7.3 1.0 C3A B:HEM703 4.2 8.5 1.0 NH2 B:ARG365 4.2 7.8 1.0 C2A B:HEM703 4.3 7.9 1.0 C3B B:HEM703 4.3 9.8 1.0 C2D B:HEM703 4.3 8.2 1.0 C3D B:HEM703 4.3 9.4 1.0 C2B B:HEM703 4.3 9.0 1.0 C2C B:HEM703 4.3 8.5 1.0 C3C B:HEM703 4.4 9.0 1.0 O B:HOH1129 4.4 13.3 1.0 CG2 B:VAL81 4.5 8.8 1.0 CZ B:ARG365 4.6 8.0 1.0 CZ B:PHE168 4.7 10.0 1.0 NE2 B:HIS82 4.7 9.1 1.0 CD2 B:HIS82 4.8 8.0 1.0 CE2 B:PHE168 5.0 9.7 1.0

Iron binding site 3 out of 4 in the Catpo Mutant - T188F


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Catpo Mutant - T188F within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe703 b:10.7 occ:1.00 FE C:HEM703 0.0 10.7 1.0 OH C:TYR369 2.0 10.2 1.0 ND C:HEM703 2.0 9.4 1.0 NA C:HEM703 2.0 9.0 1.0 NB C:HEM703 2.1 9.7 1.0 NC C:HEM703 2.1 8.8 1.0 O C:HOH1264 2.6 28.7 1.0 CZ C:TYR369 3.0 10.1 1.0 C4A C:HEM703 3.0 8.7 1.0 C4B C:HEM703 3.0 9.4 1.0 C4D C:HEM703 3.0 9.3 1.0 C1B C:HEM703 3.1 9.7 1.0 C1D C:HEM703 3.1 9.3 1.0 C4C C:HEM703 3.1 8.7 1.0 C1A C:HEM703 3.1 8.8 1.0 C1C C:HEM703 3.1 9.0 1.0 CHB C:HEM703 3.4 8.7 1.0 CHC C:HEM703 3.4 8.9 1.0 CHD C:HEM703 3.5 9.4 1.0 CHA C:HEM703 3.5 8.6 1.0 CE2 C:TYR369 3.8 9.4 1.0 CE1 C:TYR369 3.8 9.9 1.0 NE C:ARG365 4.1 8.3 1.0 NH2 C:ARG365 4.2 9.2 1.0 C3A C:HEM703 4.2 8.7 1.0 C3B C:HEM703 4.3 10.4 1.0 C3C C:HEM703 4.3 9.5 1.0 C2B C:HEM703 4.3 9.8 1.0 C2A C:HEM703 4.3 8.0 1.0 C2C C:HEM703 4.3 8.8 1.0 C2D C:HEM703 4.3 9.2 1.0 C3D C:HEM703 4.3 8.9 1.0 O C:HOH1113 4.5 13.0 1.0 CZ C:ARG365 4.6 8.8 1.0 CG2 C:VAL81 4.6 9.8 1.0 CZ C:PHE168 4.7 9.5 1.0 NE2 C:HIS82 4.7 9.6 1.0 CD2 C:HIS82 4.7 8.8 1.0

Iron binding site 4 out of 4 in the Catpo Mutant - T188F


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Catpo Mutant - T188F within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe703 b:10.6 occ:1.00 FE D:HEM703 0.0 10.6 1.0 OH D:TYR369 2.0 10.6 1.0 ND D:HEM703 2.0 10.1 1.0 NA D:HEM703 2.0 9.6 1.0 NC D:HEM703 2.1 9.6 1.0 NB D:HEM703 2.1 10.0 1.0 O D:HOH1218 2.6 29.8 1.0 C1D D:HEM703 3.0 9.4 1.0 CZ D:TYR369 3.0 9.8 1.0 C4D D:HEM703 3.0 9.3 1.0 C4A D:HEM703 3.0 9.9 1.0 C4B D:HEM703 3.0 9.3 1.0 C1B D:HEM703 3.1 11.1 1.0 C1A D:HEM703 3.1 9.5 1.0 C4C D:HEM703 3.1 9.5 1.0 C1C D:HEM703 3.1 9.2 1.0 CHA D:HEM703 3.4 9.0 1.0 CHD D:HEM703 3.4 9.3 1.0 CHB D:HEM703 3.4 10.3 1.0 CHC D:HEM703 3.5 9.0 1.0 CE2 D:TYR369 3.8 8.9 1.0 CE1 D:TYR369 3.9 9.8 1.0 NE D:ARG365 4.1 9.4 1.0 NH2 D:ARG365 4.1 10.4 1.0 C3A D:HEM703 4.2 8.9 1.0 C2B D:HEM703 4.3 9.6 1.0 C3B D:HEM703 4.3 10.1 1.0 C2A D:HEM703 4.3 8.5 1.0 C2D D:HEM703 4.3 10.0 1.0 C3C D:HEM703 4.3 9.3 1.0 C3D D:HEM703 4.3 9.4 1.0 C2C D:HEM703 4.3 9.3 1.0 O D:HOH1065 4.3 12.9 1.0 CG2 D:VAL81 4.5 10.3 1.0 CZ D:ARG365 4.5 10.0 1.0 CZ D:PHE168 4.6 9.5 1.0 NE2 D:HIS82 4.7 9.2 1.0 CD2 D:HIS82 4.7 8.4 1.0 CE2 D:PHE168 4.9 9.3 1.0

Y.Yuzugullu Karakus, S.Balci, G.Goc, A.R.Pearson, B.Yorke. Catpo Mutant - T188F To Be Published.