Iron in PDB 5xzm: Catpo Mutant - V228I

All present enzymatic activity of Catpo Mutant - V228I:
1.11.1.6;

The structure of Catpo Mutant - V228I, PDB code: 5xzm 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)	112.84 / 1.41
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	125.471, 120.251, 183.665, 90.00, 101.97, 90.00
R / Rfree (%)	15.8 / 18.3

The structure of Catpo Mutant - V228I also contains other interesting chemical elements:

Calcium

(Ca)

11 atoms

The binding sites of Iron atom in the Catpo Mutant - V228I (pdb code 5xzm). 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 - V228I, PDB code: 5xzm:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Catpo Mutant - V228I


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Catpo Mutant - V228I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:9.7 occ:1.00 FE A:HDD701 0.0 9.7 1.0 O A:HOH811 1.7 33.4 1.0 OH A:TYR369 1.9 10.6 1.0 ND A:HDD701 2.0 8.8 1.0 NA A:HDD701 2.0 9.3 1.0 NB A:HDD701 2.0 9.7 1.0 NC A:HDD701 2.1 9.4 1.0 CZ A:TYR369 3.0 9.3 1.0 C1A A:HDD701 3.0 8.5 1.0 C4C A:HDD701 3.0 9.3 1.0 C4A A:HDD701 3.0 9.0 1.0 C4D A:HDD701 3.0 9.4 1.0 C1D A:HDD701 3.1 9.7 1.0 C4B A:HDD701 3.1 10.7 1.0 C1B A:HDD701 3.1 10.7 1.0 C1C A:HDD701 3.1 9.4 1.0 CHA A:HDD701 3.4 9.0 1.0 CHD A:HDD701 3.4 10.0 1.0 CHB A:HDD701 3.5 9.8 1.0 CHC A:HDD701 3.5 8.9 1.0 CE2 A:TYR369 3.7 9.3 1.0 CE1 A:TYR369 3.7 9.6 1.0 NE A:ARG365 4.1 8.7 1.0 NH2 A:ARG365 4.3 8.6 1.0 C3A A:HDD701 4.3 9.0 1.0 C3C A:HDD701 4.3 9.2 1.0 C3B A:HDD701 4.3 11.4 1.0 C2A A:HDD701 4.3 7.9 1.0 C2B A:HDD701 4.3 10.6 1.0 C2C A:HDD701 4.3 9.2 1.0 O A:HOH1017 4.3 16.6 1.0 C3D A:HDD701 4.4 9.8 1.0 C2D A:HDD701 4.4 9.9 1.0 CG2 A:VAL81 4.5 9.3 1.0 CZ A:ARG365 4.6 10.0 1.0 CZ A:PHE168 4.7 11.4 1.0 NE2 A:HIS82 4.8 9.4 1.0 CD2 A:HIS82 4.8 8.9 1.0 CE2 A:PHE168 4.8 11.7 1.0 CD2 A:TYR369 4.9 8.8 1.0 CD1 A:TYR369 5.0 10.2 1.0

Iron binding site 2 out of 4 in the Catpo Mutant - V228I


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Catpo Mutant - V228I within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:9.2 occ:1.00 FE B:HDD701 0.0 9.2 1.0 OH B:TYR369 1.9 9.2 1.0 NA B:HDD701 2.0 8.6 1.0 ND B:HDD701 2.0 8.4 1.0 NC B:HDD701 2.1 8.7 1.0 NB B:HDD701 2.1 8.9 1.0 O B:HOH851 2.1 30.1 0.7 CZ B:TYR369 3.0 9.7 1.0 C4A B:HDD701 3.0 8.4 1.0 C4C B:HDD701 3.0 9.5 1.0 C4D B:HDD701 3.0 8.5 1.0 C4B B:HDD701 3.0 9.8 1.0 C1C B:HDD701 3.0 9.6 1.0 C1D B:HDD701 3.1 8.7 1.0 C1B B:HDD701 3.1 8.5 1.0 C1A B:HDD701 3.1 8.4 1.0 CHD B:HDD701 3.4 8.7 1.0 CHB B:HDD701 3.4 9.1 1.0 CHC B:HDD701 3.4 10.6 1.0 CHA B:HDD701 3.5 7.8 1.0 CE2 B:TYR369 3.7 8.2 1.0 CE1 B:TYR369 3.8 9.2 1.0 NE B:ARG365 4.2 8.9 1.0 NH2 B:ARG365 4.2 8.9 1.0 C3C B:HDD701 4.3 8.8 1.0 C2C B:HDD701 4.3 10.0 1.0 C3A B:HDD701 4.3 8.1 1.0 C3B B:HDD701 4.3 9.9 1.0 O B:HOH1046 4.3 17.1 1.0 C2A B:HDD701 4.3 7.2 1.0 C2B B:HDD701 4.3 8.7 1.0 C2D B:HDD701 4.4 9.2 1.0 C3D B:HDD701 4.4 9.2 1.0 CG2 B:VAL81 4.5 8.7 1.0 CZ B:PHE168 4.6 11.2 1.0 CZ B:ARG365 4.6 9.7 1.0 NE2 B:HIS82 4.8 8.3 1.0 CD2 B:HIS82 4.8 8.1 1.0 CE2 B:PHE168 4.9 12.0 1.0 CD2 B:TYR369 5.0 9.4 1.0

Iron binding site 3 out of 4 in the Catpo Mutant - V228I


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Catpo Mutant - V228I within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe701 b:9.6 occ:1.00 FE C:HDD701 0.0 9.6 1.0 NA C:HDD701 2.0 8.6 1.0 ND C:HDD701 2.0 8.2 1.0 OH C:TYR369 2.0 9.9 1.0 NC C:HDD701 2.1 8.4 1.0 NB C:HDD701 2.1 8.8 1.0 O C:HOH1169 2.5 31.3 1.0 CZ C:TYR369 2.9 8.5 1.0 C1A C:HDD701 3.0 8.7 1.0 C4D C:HDD701 3.0 9.0 1.0 C1C C:HDD701 3.0 8.1 1.0 C1D C:HDD701 3.1 8.6 1.0 C4C C:HDD701 3.1 8.7 1.0 C4B C:HDD701 3.1 9.1 1.0 C4A C:HDD701 3.1 8.9 1.0 C1B C:HDD701 3.1 8.9 1.0 CHC C:HDD701 3.4 8.9 1.0 CHA C:HDD701 3.4 8.1 1.0 CHD C:HDD701 3.4 8.0 1.0 CHB C:HDD701 3.5 8.6 1.0 CE2 C:TYR369 3.7 7.8 1.0 CE1 C:TYR369 3.8 9.3 1.0 NE C:ARG365 4.1 9.7 1.0 NH2 C:ARG365 4.2 8.9 1.0 C3A C:HDD701 4.3 9.1 1.0 C3C C:HDD701 4.3 8.6 1.0 C2C C:HDD701 4.3 9.6 1.0 C2A C:HDD701 4.3 8.8 1.0 C2B C:HDD701 4.3 9.5 1.0 C3B C:HDD701 4.3 10.0 1.0 O C:HOH1112 4.4 18.3 1.0 C3D C:HDD701 4.4 10.0 1.0 C2D C:HDD701 4.4 10.3 1.0 CG2 C:VAL81 4.6 8.9 1.0 CZ C:ARG365 4.6 8.9 1.0 CZ C:PHE168 4.7 12.1 1.0 NE2 C:HIS82 4.8 10.0 1.0 CD2 C:HIS82 4.8 10.1 1.0 CE2 C:PHE168 4.8 10.2 1.0 CD2 C:TYR369 5.0 8.5 1.0

Iron binding site 4 out of 4 in the Catpo Mutant - V228I


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Catpo Mutant - V228I within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe701 b:9.4 occ:1.00 FE D:HDD701 0.0 9.4 1.0 OH D:TYR369 2.0 9.3 1.0 NA D:HDD701 2.0 8.9 1.0 NC D:HDD701 2.0 8.4 1.0 ND D:HDD701 2.1 8.1 1.0 NB D:HDD701 2.1 8.2 1.0 O D:HOH1136 2.5 24.6 0.5 CZ D:TYR369 3.0 8.9 1.0 C4A D:HDD701 3.0 9.0 1.0 C4D D:HDD701 3.0 8.9 1.0 C1C D:HDD701 3.0 8.2 1.0 C1A D:HDD701 3.1 8.3 1.0 C1B D:HDD701 3.1 9.3 1.0 C4C D:HDD701 3.1 8.2 1.0 C4B D:HDD701 3.1 9.0 1.0 C1D D:HDD701 3.1 8.3 1.0 CHB D:HDD701 3.4 9.5 1.0 CHA D:HDD701 3.4 8.7 1.0 CHD D:HDD701 3.5 8.9 1.0 CHC D:HDD701 3.5 8.1 1.0 CE2 D:TYR369 3.7 8.6 1.0 CE1 D:TYR369 3.8 8.4 1.0 NE D:ARG365 4.1 8.6 1.0 NH2 D:ARG365 4.2 9.1 1.0 O D:HOH1018 4.3 18.3 1.0 C3A D:HDD701 4.3 7.9 1.0 C3B D:HDD701 4.3 9.2 1.0 C3C D:HDD701 4.3 9.2 1.0 C2B D:HDD701 4.3 8.6 1.0 C2C D:HDD701 4.3 8.1 1.0 C2A D:HDD701 4.3 8.6 1.0 C3D D:HDD701 4.4 9.8 1.0 C2D D:HDD701 4.4 9.3 1.0 CG2 D:VAL81 4.5 8.2 1.0 CZ D:ARG365 4.6 9.9 1.0 CZ D:PHE168 4.6 10.8 1.0 NE2 D:HIS82 4.7 8.7 1.0 CE2 D:PHE168 4.8 10.2 1.0 CD2 D:HIS82 4.8 8.3 1.0 CD2 D:TYR369 5.0 8.4 1.0

Y.Yuzugullu Karakus, S.Balci, G.Goc, A.R.Pearson, B.Yorke. Catpo Mutant - V228I To Be Published.