Iron in PDB 8j4q: Crystal Structure of Ekate (Extra Kate) From Atypical E. Coli

All present enzymatic activity of Crystal Structure of Ekate (Extra Kate) From Atypical E. Coli:
1.11.1.6;

The structure of Crystal Structure of Ekate (Extra Kate) From Atypical E. Coli, PDB code: 8j4q was solved by Y.Yoo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.49 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.585, 178.935, 107.279, 90, 106.7, 90
R / Rfree (%)	17.3 / 21.3

The binding sites of Iron atom in the Crystal Structure of Ekate (Extra Kate) From Atypical E. Coli (pdb code 8j4q). 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 Ekate (Extra Kate) From Atypical E. Coli, PDB code: 8j4q:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Ekate (Extra Kate) From Atypical E. Coli


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 Ekate (Extra Kate) From Atypical E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:26.4 occ:1.00 FE A:HEM801 0.0 26.4 1.0 OH A:TYR415 2.0 33.3 1.0 NA A:HEM801 2.0 25.4 1.0 NC A:HEM801 2.0 27.6 1.0 ND A:HEM801 2.0 23.8 1.0 NB A:HEM801 2.0 30.1 1.0 C1D A:HEM801 2.9 25.5 1.0 C4C A:HEM801 2.9 27.7 1.0 C4D A:HEM801 2.9 24.6 1.0 C4B A:HEM801 2.9 29.5 1.0 C1C A:HEM801 3.0 27.9 1.0 CZ A:TYR415 3.0 28.4 1.0 C1B A:HEM801 3.0 31.2 1.0 C1A A:HEM801 3.1 28.9 1.0 C4A A:HEM801 3.1 26.2 1.0 CHD A:HEM801 3.3 28.2 1.0 CHC A:HEM801 3.3 29.4 1.0 CHB A:HEM801 3.4 29.4 1.0 CHA A:HEM801 3.4 26.3 1.0 CE1 A:TYR415 3.7 25.7 1.0 CE2 A:TYR415 3.9 28.8 1.0 NE A:ARG411 4.0 24.5 1.0 C3C A:HEM801 4.1 29.1 1.0 C2D A:HEM801 4.1 29.5 1.0 C2C A:HEM801 4.1 32.5 1.0 C3D A:HEM801 4.2 30.1 1.0 NH2 A:ARG411 4.2 27.3 1.0 C3B A:HEM801 4.2 27.6 1.0 C2B A:HEM801 4.2 30.6 1.0 C3A A:HEM801 4.2 26.6 1.0 C2A A:HEM801 4.2 28.7 1.0 O A:HOH1049 4.5 29.4 1.0 CZ A:ARG411 4.5 25.8 1.0 CZ A:PHE214 4.6 28.2 1.0 CG2 A:VAL127 4.8 20.2 1.0 NE2 A:HIS128 4.8 24.6 1.0 CD2 A:HIS128 4.9 27.1 1.0 CD A:ARG411 4.9 27.8 1.0 CD1 A:TYR415 4.9 31.7 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Ekate (Extra Kate) From Atypical E. Coli


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 Ekate (Extra Kate) From Atypical E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe801 b:27.3 occ:1.00 FE B:HEM801 0.0 27.3 1.0 OH B:TYR415 1.8 40.9 1.0 NA B:HEM801 2.0 18.6 1.0 NC B:HEM801 2.0 25.8 1.0 ND B:HEM801 2.0 21.8 1.0 NB B:HEM801 2.0 25.7 1.0 O B:HOH1165 2.9 38.5 1.0 C1D B:HEM801 2.9 27.3 1.0 C4B B:HEM801 2.9 24.5 1.0 C4C B:HEM801 2.9 27.6 1.0 CZ B:TYR415 3.0 36.2 1.0 C1C B:HEM801 3.0 26.5 1.0 C4D B:HEM801 3.0 24.6 1.0 C1B B:HEM801 3.0 25.0 1.0 C4A B:HEM801 3.0 27.4 1.0 C1A B:HEM801 3.0 25.1 1.0 CHC B:HEM801 3.3 23.3 1.0 CHD B:HEM801 3.3 26.3 1.0 CHB B:HEM801 3.4 22.9 1.0 CHA B:HEM801 3.5 24.3 1.0 CE2 B:TYR415 3.7 35.5 1.0 CE1 B:TYR415 3.8 34.9 1.0 NE B:ARG411 3.9 24.9 1.0 NH2 B:ARG411 4.0 24.1 1.0 C3C B:HEM801 4.1 26.6 1.0 C2C B:HEM801 4.1 24.3 1.0 C2D B:HEM801 4.2 31.5 1.0 C3B B:HEM801 4.2 31.1 1.0 C2B B:HEM801 4.2 29.2 1.0 C3D B:HEM801 4.2 25.8 1.0 C3A B:HEM801 4.2 22.4 1.0 C2A B:HEM801 4.2 23.3 1.0 CZ B:ARG411 4.3 28.3 1.0 O B:HOH1177 4.5 30.6 1.0 CZ B:PHE214 4.6 25.5 1.0 CG2 B:VAL127 4.6 22.6 1.0 CD B:ARG411 4.8 26.5 1.0 NE2 B:HIS128 5.0 30.6 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Ekate (Extra Kate) From Atypical E. Coli


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 Ekate (Extra Kate) From Atypical E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe801 b:26.7 occ:1.00 FE C:HEM801 0.0 26.7 1.0 OH C:TYR415 1.8 31.5 1.0 NA C:HEM801 2.0 22.2 1.0 NC C:HEM801 2.0 22.4 1.0 ND C:HEM801 2.0 21.6 1.0 NB C:HEM801 2.0 22.3 1.0 O C:HOH1157 2.6 35.0 1.0 C1D C:HEM801 2.9 26.8 1.0 C4B C:HEM801 2.9 22.7 1.0 C4C C:HEM801 2.9 26.2 1.0 C1C C:HEM801 2.9 27.4 1.0 CZ C:TYR415 2.9 33.9 1.0 C4D C:HEM801 3.0 24.7 1.0 C1B C:HEM801 3.0 26.2 1.0 C4A C:HEM801 3.1 26.1 1.0 C1A C:HEM801 3.1 22.2 1.0 CHC C:HEM801 3.3 26.7 1.0 CHD C:HEM801 3.3 22.0 1.0 CHB C:HEM801 3.4 25.5 1.0 CHA C:HEM801 3.4 24.2 1.0 CE2 C:TYR415 3.7 31.4 1.0 CE1 C:TYR415 3.8 31.4 1.0 NE C:ARG411 4.0 26.9 1.0 C3C C:HEM801 4.1 25.6 1.0 C2C C:HEM801 4.1 24.5 1.0 C3B C:HEM801 4.1 25.4 1.0 NH2 C:ARG411 4.2 26.7 1.0 C2B C:HEM801 4.2 25.9 1.0 C2D C:HEM801 4.2 26.9 1.0 O C:HOH1097 4.2 31.3 1.0 C3D C:HEM801 4.2 27.4 1.0 C3A C:HEM801 4.2 22.3 1.0 C2A C:HEM801 4.3 20.5 1.0 CZ C:ARG411 4.5 26.0 1.0 CZ C:PHE214 4.6 22.4 1.0 CG2 C:VAL127 4.7 24.0 1.0 NE2 C:HIS128 4.7 26.4 1.0 CD2 C:HIS128 4.8 24.3 1.0 CD2 C:TYR415 5.0 32.4 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Ekate (Extra Kate) From Atypical E. Coli


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 Ekate (Extra Kate) From Atypical E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe801 b:26.4 occ:1.00 FE D:HEM801 0.0 26.4 1.0 ND D:HEM801 2.0 20.4 1.0 OH D:TYR415 2.0 28.9 1.0 NA D:HEM801 2.0 21.6 1.0 NC D:HEM801 2.0 28.3 1.0 NB D:HEM801 2.0 26.3 1.0 C1D D:HEM801 2.9 24.6 1.0 C4B D:HEM801 2.9 22.1 1.0 C4C D:HEM801 2.9 26.6 1.0 C1C D:HEM801 3.0 27.7 1.0 C4D D:HEM801 3.0 24.3 1.0 C1B D:HEM801 3.0 27.6 1.0 CZ D:TYR415 3.0 24.7 1.0 C1A D:HEM801 3.0 24.7 1.0 C4A D:HEM801 3.0 25.4 1.0 O D:HOH1101 3.2 36.4 1.0 CHC D:HEM801 3.3 26.3 1.0 CHD D:HEM801 3.3 23.6 1.0 CHB D:HEM801 3.4 21.2 1.0 CHA D:HEM801 3.4 24.2 1.0 CE2 D:TYR415 3.7 21.5 1.0 CE1 D:TYR415 3.9 24.6 1.0 NE D:ARG411 4.1 22.9 1.0 C3C D:HEM801 4.1 27.8 1.0 C2C D:HEM801 4.1 28.2 1.0 C3B D:HEM801 4.2 22.0 1.0 C2D D:HEM801 4.2 27.6 1.0 C2B D:HEM801 4.2 28.2 1.0 C3D D:HEM801 4.2 23.9 1.0 C2A D:HEM801 4.2 27.6 1.0 C3A D:HEM801 4.2 25.1 1.0 NH2 D:ARG411 4.2 21.2 1.0 CZ D:PHE214 4.5 30.3 1.0 CZ D:ARG411 4.5 25.2 1.0 NE2 D:HIS128 4.6 22.5 1.0 CG2 D:VAL127 4.8 23.5 1.0 CD2 D:HIS128 4.8 25.9 1.0 O D:HOH960 4.9 31.3 1.0 CD D:ARG411 4.9 24.2 1.0 CD2 D:TYR415 5.0 24.4 1.0 CE2 D:PHE214 5.0 28.7 1.0

Y.Yoo, Y.Yoo. N/A N/A.