Iron in PDB 2rf7: Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E

All present enzymatic activity of Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E:
1.7.2.2;

The structure of Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E, PDB code: 2rf7 was solved by T.A.Clarke, D.J.Richardson, A.M.Hemmings, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	79.31 / 2.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.292, 91.201, 295.486, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 22.6

The structure of Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E also contains other interesting chemical elements:

Calcium

(Ca)

8 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E (pdb code 2rf7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 20 binding sites of Iron where determined in the Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E, PDB code: 2rf7:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 20 in the Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E


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 the Escherichia Coli Nrfa Mutant Q263E within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1 b:14.7 occ:1.00 FE A:HEC1 0.0 14.7 1.0 NA A:HEC1 2.0 12.8 1.0 NZ A:LYS126 2.0 13.8 1.0 NC A:HEC1 2.1 12.8 1.0 NB A:HEC1 2.1 13.3 1.0 ND A:HEC1 2.1 13.4 1.0 O A:HOH880 2.5 33.0 1.0 C4A A:HEC1 3.0 12.7 1.0 C4C A:HEC1 3.1 14.1 1.0 C1A A:HEC1 3.1 13.4 1.0 C1B A:HEC1 3.1 13.3 1.0 C1D A:HEC1 3.1 14.2 1.0 C4B A:HEC1 3.1 14.6 1.0 CE A:LYS126 3.1 11.9 1.0 C1C A:HEC1 3.1 14.3 1.0 C4D A:HEC1 3.2 13.1 1.0 CHD A:HEC1 3.4 12.0 1.0 CHB A:HEC1 3.4 10.8 1.0 CHA A:HEC1 3.5 12.9 1.0 CHC A:HEC1 3.5 12.2 1.0 O A:HOH493 4.0 15.7 1.0 C3A A:HEC1 4.3 12.5 1.0 C2A A:HEC1 4.3 12.6 1.0 C3B A:HEC1 4.3 15.2 1.0 C2B A:HEC1 4.3 12.5 1.0 C3C A:HEC1 4.3 14.9 1.0 C2C A:HEC1 4.3 12.7 1.0 C2D A:HEC1 4.4 13.4 1.0 NE2 A:HIS264 4.4 15.2 1.0 C3D A:HEC1 4.4 13.6 1.0 CD A:LYS126 4.5 14.8 1.0 O A:HOH881 4.5 37.5 1.0 CMD A:HEC3 4.8 10.5 1.0 O A:HOH515 4.9 21.2 1.0 O A:HOH879 5.0 18.9 1.0

Iron binding site 2 out of 20 in the Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E


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 the Escherichia Coli Nrfa Mutant Q263E within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2 b:21.0 occ:1.00 FE A:HEC2 0.0 21.0 1.0 NE2 A:HIS164 1.9 16.1 1.0 NE2 A:HIS301 2.0 14.3 1.0 NB A:HEC2 2.1 22.7 1.0 NA A:HEC2 2.1 22.0 1.0 ND A:HEC2 2.1 21.5 1.0 NC A:HEC2 2.1 21.7 1.0 CE1 A:HIS164 2.8 22.0 1.0 CE1 A:HIS301 2.9 16.2 1.0 CD2 A:HIS164 3.0 20.9 1.0 C4A A:HEC2 3.1 22.7 1.0 C1B A:HEC2 3.1 23.9 1.0 C1A A:HEC2 3.1 21.1 1.0 C4B A:HEC2 3.1 23.6 1.0 C1C A:HEC2 3.1 21.7 1.0 C4D A:HEC2 3.1 22.6 1.0 CD2 A:HIS301 3.1 18.0 1.0 C1D A:HEC2 3.1 23.2 1.0 C4C A:HEC2 3.2 22.8 1.0 CHB A:HEC2 3.4 21.6 1.0 CHC A:HEC2 3.4 23.5 1.0 CHA A:HEC2 3.5 21.7 1.0 CHD A:HEC2 3.5 21.8 1.0 ND1 A:HIS164 4.0 20.6 1.0 ND1 A:HIS301 4.1 15.7 1.0 CG A:HIS164 4.1 22.9 1.0 CG A:HIS301 4.2 18.1 1.0 C3A A:HEC2 4.3 23.0 1.0 C2B A:HEC2 4.3 22.8 1.0 C2A A:HEC2 4.3 21.8 1.0 C3B A:HEC2 4.3 23.7 1.0 C2C A:HEC2 4.4 19.6 1.0 C3D A:HEC2 4.4 21.2 1.0 C2D A:HEC2 4.4 19.1 1.0 C3C A:HEC2 4.4 19.7 1.0 CE A:MET287 5.0 20.6 1.0

Iron binding site 3 out of 20 in the Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E


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 the Escherichia Coli Nrfa Mutant Q263E within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3 b:15.3 occ:1.00 FE A:HEC3 0.0 15.3 1.0 NE2 A:HIS213 2.0 10.4 1.0 NA A:HEC3 2.0 17.9 1.0 NB A:HEC3 2.1 16.0 1.0 NE2 A:HIS94 2.1 18.1 1.0 NC A:HEC3 2.1 16.9 1.0 ND A:HEC3 2.1 15.3 1.0 CE1 A:HIS213 2.9 9.7 1.0 C1B A:HEC3 3.0 16.4 1.0 C4A A:HEC3 3.0 17.0 1.0 CE1 A:HIS94 3.0 18.6 1.0 C4C A:HEC3 3.1 17.4 1.0 C1A A:HEC3 3.1 16.6 1.0 C1D A:HEC3 3.1 16.1 1.0 CD2 A:HIS213 3.1 12.5 1.0 CD2 A:HIS94 3.1 15.7 1.0 C4B A:HEC3 3.1 15.4 1.0 C4D A:HEC3 3.1 14.8 1.0 C1C A:HEC3 3.1 17.9 1.0 CHB A:HEC3 3.3 15.4 1.0 CHD A:HEC3 3.4 14.2 1.0 CHA A:HEC3 3.5 12.7 1.0 CHC A:HEC3 3.5 14.9 1.0 ND1 A:HIS213 4.0 12.0 1.0 ND1 A:HIS94 4.2 16.4 1.0 CG A:HIS213 4.2 11.0 1.0 CG A:HIS94 4.2 17.9 1.0 C3A A:HEC3 4.3 14.7 1.0 C2A A:HEC3 4.3 14.7 1.0 C2B A:HEC3 4.3 16.4 1.0 C3C A:HEC3 4.3 17.7 1.0 C2C A:HEC3 4.3 18.1 1.0 C2D A:HEC3 4.3 14.9 1.0 C3B A:HEC3 4.3 16.0 1.0 C3D A:HEC3 4.4 15.0 1.0

Iron binding site 4 out of 20 in the Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E


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 the Escherichia Coli Nrfa Mutant Q263E within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe4 b:13.1 occ:1.00 FE A:HEC4 0.0 13.1 1.0 NB A:HEC4 2.0 13.2 1.0 NC A:HEC4 2.0 15.3 1.0 NA A:HEC4 2.1 15.0 1.0 ND A:HEC4 2.1 15.4 1.0 NE2 A:HIS393 2.1 10.7 1.0 NE2 A:HIS286 2.1 15.8 1.0 C4B A:HEC4 3.0 13.9 1.0 CE1 A:HIS393 3.0 11.1 1.0 C1C A:HEC4 3.0 13.2 1.0 C1B A:HEC4 3.1 10.1 1.0 C1D A:HEC4 3.1 16.1 1.0 C4D A:HEC4 3.1 16.1 1.0 C4C A:HEC4 3.1 13.9 1.0 C1A A:HEC4 3.1 14.9 1.0 CE1 A:HIS286 3.1 13.2 1.0 C4A A:HEC4 3.1 13.1 1.0 CD2 A:HIS286 3.1 14.2 1.0 CD2 A:HIS393 3.2 8.2 1.0 CHC A:HEC4 3.4 12.4 1.0 CHD A:HEC4 3.4 11.9 1.0 CHB A:HEC4 3.4 13.0 1.0 CHA A:HEC4 3.4 13.4 1.0 ND1 A:HIS393 4.2 9.1 1.0 ND1 A:HIS286 4.2 14.4 1.0 C2B A:HEC4 4.2 14.0 1.0 C3B A:HEC4 4.3 11.8 1.0 CG A:HIS286 4.3 15.4 1.0 CG A:HIS393 4.3 9.7 1.0 C2C A:HEC4 4.3 12.1 1.0 C2D A:HEC4 4.3 16.7 1.0 C3D A:HEC4 4.3 16.8 1.0 C2A A:HEC4 4.3 16.0 1.0 C3C A:HEC4 4.3 14.3 1.0 C3A A:HEC4 4.3 14.6 1.0

Iron binding site 5 out of 20 in the Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe5 b:16.0 occ:1.00 FE A:HEC5 0.0 16.0 1.0 NB A:HEC5 2.0 15.6 1.0 NE2 A:HIS275 2.0 15.0 1.0 ND A:HEC5 2.0 15.9 1.0 NC A:HEC5 2.1 16.9 1.0 NE2 A:HIS318 2.1 21.4 1.0 NA A:HEC5 2.1 17.2 1.0 CE1 A:HIS275 3.0 12.6 1.0 CE1 A:HIS318 3.0 19.4 1.0 C1B A:HEC5 3.0 14.7 1.0 C1D A:HEC5 3.1 17.9 1.0 C4D A:HEC5 3.1 18.5 1.0 C4B A:HEC5 3.1 16.5 1.0 C4C A:HEC5 3.1 17.0 1.0 CD2 A:HIS275 3.1 11.3 1.0 C4A A:HEC5 3.1 17.0 1.0 C1A A:HEC5 3.1 16.3 1.0 C1C A:HEC5 3.1 17.3 1.0 CD2 A:HIS318 3.2 16.8 1.0 CHB A:HEC5 3.4 16.1 1.0 CHD A:HEC5 3.4 16.1 1.0 CHA A:HEC5 3.5 15.6 1.0 CHC A:HEC5 3.5 15.9 1.0 ND1 A:HIS275 4.1 13.5 1.0 ND1 A:HIS318 4.2 19.3 1.0 CG A:HIS275 4.2 13.3 1.0 C2B A:HEC5 4.2 17.3 1.0 CG A:HIS318 4.3 19.9 1.0 C3B A:HEC5 4.3 16.6 1.0 C2D A:HEC5 4.3 18.9 1.0 C3D A:HEC5 4.3 17.9 1.0 C3A A:HEC5 4.3 19.6 1.0 C3C A:HEC5 4.3 16.1 1.0 C2A A:HEC5 4.4 19.1 1.0 C2C A:HEC5 4.4 18.0 1.0 CBC A:HEC4 4.8 14.8 1.0

Iron binding site 6 out of 20 in the Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1 b:12.4 occ:1.00 FE B:HEC1 0.0 12.4 1.0 NC B:HEC1 2.0 9.3 1.0 NA B:HEC1 2.1 10.4 1.0 NB B:HEC1 2.1 11.9 1.0 ND B:HEC1 2.2 11.8 1.0 NZ B:LYS126 2.4 12.4 1.0 O B:HOH924 2.5 25.7 1.0 C4C B:HEC1 3.0 10.5 1.0 C1C B:HEC1 3.0 9.8 1.0 C4A B:HEC1 3.0 9.7 1.0 C1B B:HEC1 3.1 10.1 1.0 C1A B:HEC1 3.1 12.1 1.0 C4B B:HEC1 3.1 12.8 1.0 C1D B:HEC1 3.1 8.8 1.0 C4D B:HEC1 3.2 10.5 1.0 CE B:LYS126 3.3 9.9 1.0 CHB B:HEC1 3.4 10.4 1.0 CHD B:HEC1 3.4 9.3 1.0 CHC B:HEC1 3.4 13.9 1.0 CHA B:HEC1 3.5 8.7 1.0 O B:HOH487 4.1 11.1 1.0 C3C B:HEC1 4.3 11.1 1.0 C2C B:HEC1 4.3 11.3 1.0 C3A B:HEC1 4.3 10.5 1.0 C2B B:HEC1 4.3 11.3 1.0 C2A B:HEC1 4.3 10.7 1.0 C3B B:HEC1 4.4 11.6 1.0 NE2 B:HIS264 4.4 10.9 1.0 C2D B:HEC1 4.4 8.4 1.0 C3D B:HEC1 4.4 8.4 1.0 O B:HOH927 4.5 30.8 1.0 CD B:LYS126 4.6 11.9 1.0 CMD B:HEC3 4.8 5.4 1.0 O B:HOH546 4.9 15.8 1.0 O B:HOH925 4.9 19.0 1.0

Iron binding site 7 out of 20 in the Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2 b:11.6 occ:1.00 FE B:HEC2 0.0 11.6 1.0 NE2 B:HIS164 1.9 6.8 1.0 NE2 B:HIS301 2.0 6.5 1.0 NB B:HEC2 2.1 11.6 1.0 NC B:HEC2 2.1 11.8 1.0 NA B:HEC2 2.1 11.0 1.0 ND B:HEC2 2.1 10.4 1.0 CE1 B:HIS164 2.8 9.3 1.0 CE1 B:HIS301 3.0 11.8 1.0 CD2 B:HIS164 3.0 10.7 1.0 CD2 B:HIS301 3.0 8.9 1.0 C1B B:HEC2 3.0 11.0 1.0 C4A B:HEC2 3.1 11.9 1.0 C1C B:HEC2 3.1 15.1 1.0 C4B B:HEC2 3.1 12.7 1.0 C4C B:HEC2 3.1 13.7 1.0 C1D B:HEC2 3.1 12.0 1.0 C4D B:HEC2 3.1 11.4 1.0 C1A B:HEC2 3.2 12.6 1.0 CHB B:HEC2 3.4 9.9 1.0 CHC B:HEC2 3.5 12.5 1.0 CHD B:HEC2 3.5 12.5 1.0 CHA B:HEC2 3.5 9.3 1.0 ND1 B:HIS164 3.9 9.2 1.0 CG B:HIS164 4.0 12.1 1.0 ND1 B:HIS301 4.1 9.4 1.0 CG B:HIS301 4.1 12.0 1.0 C2B B:HEC2 4.3 11.4 1.0 C3A B:HEC2 4.3 11.3 1.0 C2C B:HEC2 4.3 12.3 1.0 C3B B:HEC2 4.3 10.9 1.0 C2A B:HEC2 4.3 11.6 1.0 C3C B:HEC2 4.4 10.8 1.0 C3D B:HEC2 4.4 11.6 1.0 C2D B:HEC2 4.4 10.7 1.0 CE B:MET287 4.8 13.8 1.0

Iron binding site 8 out of 20 in the Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe3 b:9.0 occ:1.00 FE B:HEC3 0.0 9.0 1.0 NA B:HEC3 2.0 9.7 1.0 NE2 B:HIS213 2.0 12.1 1.0 NB B:HEC3 2.1 8.2 1.0 NC B:HEC3 2.1 9.6 1.0 NE2 B:HIS94 2.1 11.1 1.0 ND B:HEC3 2.1 8.6 1.0 C4B B:HEC3 2.9 9.9 1.0 C4A B:HEC3 3.0 9.6 1.0 CE1 B:HIS94 3.0 14.1 1.0 C1B B:HEC3 3.0 9.3 1.0 CE1 B:HIS213 3.0 9.0 1.0 CD2 B:HIS213 3.0 8.0 1.0 C4C B:HEC3 3.1 7.3 1.0 C1D B:HEC3 3.1 7.5 1.0 C1A B:HEC3 3.1 9.9 1.0 C1C B:HEC3 3.1 8.9 1.0 C4D B:HEC3 3.1 11.5 1.0 CD2 B:HIS94 3.1 10.0 1.0 CHB B:HEC3 3.3 9.2 1.0 CHD B:HEC3 3.4 7.8 1.0 CHC B:HEC3 3.5 7.6 1.0 CHA B:HEC3 3.5 9.8 1.0 ND1 B:HIS213 4.1 9.6 1.0 ND1 B:HIS94 4.1 11.2 1.0 CG B:HIS213 4.2 8.2 1.0 C3A B:HEC3 4.2 10.0 1.0 C2B B:HEC3 4.2 10.1 1.0 CG B:HIS94 4.2 10.9 1.0 C2A B:HEC3 4.3 10.4 1.0 C3B B:HEC3 4.3 8.7 1.0 C2C B:HEC3 4.3 8.9 1.0 C3C B:HEC3 4.3 9.5 1.0 C2D B:HEC3 4.3 9.0 1.0 C3D B:HEC3 4.4 10.8 1.0

Iron binding site 9 out of 20 in the Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe4 b:10.2 occ:1.00 FE B:HEC4 0.0 10.2 1.0 NA B:HEC4 2.0 10.5 1.0 NB B:HEC4 2.0 9.7 1.0 NC B:HEC4 2.1 10.5 1.0 ND B:HEC4 2.1 10.6 1.0 NE2 B:HIS286 2.1 11.0 1.0 NE2 B:HIS393 2.2 10.4 1.0 CE1 B:HIS393 3.0 7.6 1.0 C1A B:HEC4 3.0 11.0 1.0 C4A B:HEC4 3.0 8.7 1.0 CD2 B:HIS286 3.0 11.2 1.0 C1C B:HEC4 3.1 8.8 1.0 C1B B:HEC4 3.1 8.8 1.0 C4B B:HEC4 3.1 8.3 1.0 C4D B:HEC4 3.1 10.9 1.0 C1D B:HEC4 3.1 11.1 1.0 C4C B:HEC4 3.1 8.7 1.0 CE1 B:HIS286 3.1 9.8 1.0 CD2 B:HIS393 3.3 6.8 1.0 CHB B:HEC4 3.4 7.5 1.0 CHA B:HEC4 3.4 11.0 1.0 CHC B:HEC4 3.4 8.0 1.0 CHD B:HEC4 3.4 7.1 1.0 ND1 B:HIS393 4.2 9.7 1.0 CG B:HIS286 4.2 12.0 1.0 C2A B:HEC4 4.2 11.2 1.0 ND1 B:HIS286 4.2 10.7 1.0 C3A B:HEC4 4.2 10.3 1.0 C2C B:HEC4 4.3 8.0 1.0 C2B B:HEC4 4.3 8.8 1.0 C3B B:HEC4 4.3 9.3 1.0 C3C B:HEC4 4.3 8.1 1.0 CG B:HIS393 4.3 11.4 1.0 C2D B:HEC4 4.3 11.8 1.0 C3D B:HEC4 4.3 11.2 1.0

Iron binding site 10 out of 20 in the Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of the Escherichia Coli Nrfa Mutant Q263E within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe5 b:14.2 occ:1.00 FE B:HEC5 0.0 14.2 1.0 NB B:HEC5 1.7 11.1 1.0 ND B:HEC5 2.0 12.6 1.0 NA B:HEC5 2.1 14.2 1.0 NE2 B:HIS318 2.1 19.2 1.0 NC B:HEC5 2.1 13.7 1.0 NE2 B:HIS275 2.1 11.4 1.0 C4B B:HEC5 3.0 10.1 1.0 C1B B:HEC5 3.0 12.0 1.0 CE1 B:HIS318 3.0 18.5 1.0 C4D B:HEC5 3.0 15.0 1.0 C1A B:HEC5 3.1 13.9 1.0 C4A B:HEC5 3.1 13.7 1.0 CE1 B:HIS275 3.1 14.1 1.0 C1D B:HEC5 3.1 15.2 1.0 C1C B:HEC5 3.1 12.6 1.0 CD2 B:HIS275 3.1 11.3 1.0 CD2 B:HIS318 3.2 17.1 1.0 C4C B:HEC5 3.2 12.0 1.0 CHC B:HEC5 3.4 11.3 1.0 CHA B:HEC5 3.4 14.2 1.0 CHB B:HEC5 3.4 9.9 1.0 CHD B:HEC5 3.5 13.2 1.0 ND1 B:HIS318 4.2 16.3 1.0 C2B B:HEC5 4.2 10.1 1.0 ND1 B:HIS275 4.2 11.3 1.0 C3B B:HEC5 4.2 9.0 1.0 CG B:HIS275 4.3 12.7 1.0 CG B:HIS318 4.3 17.0 1.0 C2A B:HEC5 4.3 16.8 1.0 C3A B:HEC5 4.3 15.4 1.0 C3D B:HEC5 4.3 16.2 1.0 C2D B:HEC5 4.3 15.3 1.0 C2C B:HEC5 4.3 8.8 1.0 C3C B:HEC5 4.4 11.6 1.0 CBC B:HEC4 4.8 6.9 1.0

T.A.Clarke, G.L.Kemp, J.H.Wonderen, R.M.Doyle, J.A.Cole, N.Tovell, M.R.Cheesman, J.N.Butt, D.J.Richardson, A.M.Hemmings. Role of A Conserved Glutamine Residue in Tuning the Catalytic Activity of Escherichia Coli Cytochrome C Nitrite Reductase. Biochemistry V. 47 3789 2008.
ISSN: ISSN 0006-2960
PubMed: 18311941
DOI: 10.1021/BI702175W