Iron in PDB 3l1t: E. Coli Nrfa Sulfite Ocmplex

All present enzymatic activity of E. Coli Nrfa Sulfite Ocmplex:
1.7.2.2;

The structure of E. Coli Nrfa Sulfite Ocmplex, PDB code: 3l1t was solved by T.A.Clarke, A.M.Hemmings, J.N.Butt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.36 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	90.520, 82.234, 142.172, 90.00, 101.08, 90.00
R / Rfree (%)	17.7 / 23.8

The structure of E. Coli Nrfa Sulfite Ocmplex 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 E. Coli Nrfa Sulfite Ocmplex (pdb code 3l1t). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 20 binding sites of Iron where determined in the E. Coli Nrfa Sulfite Ocmplex, PDB code: 3l1t:
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 E. Coli Nrfa Sulfite Ocmplex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of E. Coli Nrfa Sulfite Ocmplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe479 b:21.5 occ:1.00 FE A:HEC479 0.0 21.5 1.0 NA A:HEC479 2.0 23.0 1.0 NB A:HEC479 2.0 22.9 1.0 NZ A:LYS126 2.1 22.7 1.0 NC A:HEC479 2.1 21.2 1.0 ND A:HEC479 2.1 22.8 1.0 S A:SO3481 2.3 28.3 1.0 O1 A:SO3481 2.9 31.2 1.0 C4A A:HEC479 3.0 23.3 1.0 C1A A:HEC479 3.0 23.1 1.0 C1B A:HEC479 3.0 23.8 1.0 C4B A:HEC479 3.1 23.1 1.0 CE A:LYS126 3.1 24.2 1.0 O2 A:SO3481 3.1 29.8 1.0 C4D A:HEC479 3.1 23.9 1.0 C1C A:HEC479 3.1 21.6 1.0 C4C A:HEC479 3.1 22.7 1.0 C1D A:HEC479 3.2 22.5 1.0 O3 A:SO3481 3.4 30.1 1.0 CHB A:HEC479 3.4 23.8 1.0 CHA A:HEC479 3.4 23.1 1.0 CHC A:HEC479 3.4 22.5 1.0 CHD A:HEC479 3.5 22.3 1.0 C3A A:HEC479 4.2 24.1 1.0 C2A A:HEC479 4.2 24.6 1.0 C2B A:HEC479 4.2 21.5 1.0 C3B A:HEC479 4.3 21.6 1.0 O A:HOH21 4.3 26.5 1.0 C3D A:HEC479 4.4 24.5 1.0 C2C A:HEC479 4.4 22.0 1.0 C3C A:HEC479 4.4 21.0 1.0 C2D A:HEC479 4.4 24.1 1.0 CD A:LYS126 4.5 23.5 1.0 NE2 A:HIS264 4.6 18.4 1.0 CMD A:HEC3 4.8 21.7 1.0 NH2 A:ARG106 4.9 26.3 1.0

Iron binding site 2 out of 20 in the E. Coli Nrfa Sulfite Ocmplex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of E. Coli Nrfa Sulfite Ocmplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe480 b:30.0 occ:1.00 FE A:HEC480 0.0 30.0 1.0 NE2 A:HIS164 1.9 25.4 1.0 NE2 A:HIS301 2.0 23.8 1.0 NB A:HEC480 2.0 31.4 1.0 NA A:HEC480 2.0 31.0 1.0 NC A:HEC480 2.1 30.8 1.0 ND A:HEC480 2.1 31.5 1.0 CE1 A:HIS164 2.8 26.4 1.0 CE1 A:HIS301 2.8 23.4 1.0 C1B A:HEC480 3.0 30.4 1.0 C4A A:HEC480 3.0 31.1 1.0 CD2 A:HIS164 3.0 24.6 1.0 CD2 A:HIS301 3.1 23.8 1.0 C4B A:HEC480 3.1 30.6 1.0 C1A A:HEC480 3.1 31.9 1.0 C4C A:HEC480 3.1 30.3 1.0 C1D A:HEC480 3.1 31.3 1.0 C1C A:HEC480 3.1 31.1 1.0 C4D A:HEC480 3.1 31.7 1.0 CHB A:HEC480 3.3 29.9 1.0 CHD A:HEC480 3.4 32.2 1.0 CHC A:HEC480 3.5 30.9 1.0 CHA A:HEC480 3.5 31.8 1.0 ND1 A:HIS164 3.9 25.3 1.0 ND1 A:HIS301 4.0 23.2 1.0 CG A:HIS164 4.1 27.1 1.0 CG A:HIS301 4.1 25.7 1.0 C2B A:HEC480 4.2 31.1 1.0 C3A A:HEC480 4.2 32.0 1.0 C3B A:HEC480 4.2 29.8 1.0 C2A A:HEC480 4.3 31.7 1.0 C3C A:HEC480 4.3 30.4 1.0 C2C A:HEC480 4.3 30.3 1.0 C2D A:HEC480 4.3 30.6 1.0 C3D A:HEC480 4.3 31.1 1.0 CE A:MET287 4.7 31.5 1.0

Iron binding site 3 out of 20 in the E. Coli Nrfa Sulfite Ocmplex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of E. Coli Nrfa Sulfite Ocmplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3 b:21.8 occ:1.00 FE A:HEC3 0.0 21.8 1.0 NA A:HEC3 2.0 21.9 1.0 NB A:HEC3 2.0 21.4 1.0 ND A:HEC3 2.0 22.4 1.0 NC A:HEC3 2.1 21.0 1.0 NE2 A:HIS94 2.1 24.8 1.0 NE2 A:HIS213 2.1 22.8 1.0 C4A A:HEC3 3.0 19.8 1.0 C1A A:HEC3 3.0 21.5 1.0 C1B A:HEC3 3.0 21.1 1.0 C4D A:HEC3 3.0 22.4 1.0 CD2 A:HIS94 3.0 23.3 1.0 C4C A:HEC3 3.1 19.8 1.0 C4B A:HEC3 3.1 21.0 1.0 CD2 A:HIS213 3.1 20.2 1.0 C1D A:HEC3 3.1 22.2 1.0 CE1 A:HIS94 3.1 24.6 1.0 C1C A:HEC3 3.1 19.9 1.0 CE1 A:HIS213 3.1 21.8 1.0 CHB A:HEC3 3.4 21.4 1.0 CHA A:HEC3 3.4 21.7 1.0 CHD A:HEC3 3.4 19.7 1.0 CHC A:HEC3 3.5 19.8 1.0 ND1 A:HIS94 4.2 24.2 1.0 CG A:HIS94 4.2 25.1 1.0 C3A A:HEC3 4.2 19.1 1.0 C2A A:HEC3 4.2 21.6 1.0 CG A:HIS213 4.2 20.9 1.0 ND1 A:HIS213 4.2 20.7 1.0 C2B A:HEC3 4.2 20.3 1.0 C3B A:HEC3 4.3 19.0 1.0 C3C A:HEC3 4.3 20.5 1.0 C3D A:HEC3 4.3 22.6 1.0 C2D A:HEC3 4.3 20.9 1.0 C2C A:HEC3 4.3 20.1 1.0

Iron binding site 4 out of 20 in the E. Coli Nrfa Sulfite Ocmplex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of E. Coli Nrfa Sulfite Ocmplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe4 b:21.7 occ:1.00 FE A:HEC4 0.0 21.7 1.0 NB A:HEC4 2.0 20.9 1.0 NA A:HEC4 2.0 22.2 1.0 NC A:HEC4 2.0 19.7 1.0 NE2 A:HIS286 2.1 24.4 1.0 NE2 A:HIS393 2.1 20.0 1.0 ND A:HEC4 2.1 22.6 1.0 C1B A:HEC4 3.0 21.3 1.0 CE1 A:HIS286 3.0 21.5 1.0 CE1 A:HIS393 3.0 20.5 1.0 C4A A:HEC4 3.0 21.1 1.0 C4C A:HEC4 3.0 19.8 1.0 C4B A:HEC4 3.0 20.4 1.0 C1C A:HEC4 3.1 18.8 1.0 C1A A:HEC4 3.1 23.5 1.0 C1D A:HEC4 3.1 21.2 1.0 C4D A:HEC4 3.1 23.7 1.0 CD2 A:HIS286 3.2 24.7 1.0 CD2 A:HIS393 3.2 20.9 1.0 CHB A:HEC4 3.3 20.5 1.0 CHD A:HEC4 3.4 20.7 1.0 CHC A:HEC4 3.4 18.5 1.0 CHA A:HEC4 3.5 24.0 1.0 ND1 A:HIS286 4.1 23.7 1.0 ND1 A:HIS393 4.1 21.4 1.0 C2B A:HEC4 4.2 21.3 1.0 C3B A:HEC4 4.2 20.7 1.0 C3C A:HEC4 4.2 19.1 1.0 C3A A:HEC4 4.2 21.7 1.0 CG A:HIS286 4.2 25.6 1.0 CG A:HIS393 4.3 21.7 1.0 C2C A:HEC4 4.3 16.4 1.0 C2A A:HEC4 4.3 22.2 1.0 C2D A:HEC4 4.3 24.1 1.0 C3D A:HEC4 4.3 23.9 1.0

Iron binding site 5 out of 20 in the E. Coli Nrfa Sulfite Ocmplex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of E. Coli Nrfa Sulfite Ocmplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe5 b:22.7 occ:1.00 FE A:HEC5 0.0 22.7 1.0 NB A:HEC5 1.9 20.2 1.0 NE2 A:HIS318 1.9 36.8 1.0 NA A:HEC5 2.0 22.6 1.0 NC A:HEC5 2.1 22.5 1.0 NE2 A:HIS275 2.1 21.3 1.0 ND A:HEC5 2.1 22.8 1.0 CE1 A:HIS318 2.7 36.5 1.0 C1B A:HEC5 2.9 20.9 1.0 C4A A:HEC5 3.0 25.1 1.0 C4B A:HEC5 3.0 20.0 1.0 C1A A:HEC5 3.0 23.7 1.0 CE1 A:HIS275 3.0 21.4 1.0 CD2 A:HIS275 3.1 21.2 1.0 C1C A:HEC5 3.1 20.6 1.0 CD2 A:HIS318 3.1 35.4 1.0 C4D A:HEC5 3.1 23.8 1.0 C4C A:HEC5 3.1 22.4 1.0 C1D A:HEC5 3.1 22.8 1.0 CHB A:HEC5 3.3 23.5 1.0 CHC A:HEC5 3.4 20.5 1.0 CHA A:HEC5 3.5 24.9 1.0 CHD A:HEC5 3.5 22.1 1.0 ND1 A:HIS318 3.9 35.0 1.0 CG A:HIS318 4.1 35.3 1.0 C2B A:HEC5 4.2 19.3 1.0 ND1 A:HIS275 4.2 21.4 1.0 C3B A:HEC5 4.2 19.4 1.0 C3A A:HEC5 4.2 25.0 1.0 CG A:HIS275 4.2 22.0 1.0 C2A A:HEC5 4.2 26.0 1.0 C2C A:HEC5 4.3 21.1 1.0 C3C A:HEC5 4.4 21.0 1.0 C2D A:HEC5 4.4 23.0 1.0 C3D A:HEC5 4.4 25.0 1.0 CBC A:HEC4 4.9 18.1 1.0

Iron binding site 6 out of 20 in the E. Coli Nrfa Sulfite Ocmplex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of E. Coli Nrfa Sulfite Ocmplex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe479 b:13.5 occ:1.00 FE B:HEC479 0.0 13.5 1.0 NC B:HEC479 2.0 15.8 1.0 ND B:HEC479 2.1 14.4 1.0 NA B:HEC479 2.1 14.5 1.0 NB B:HEC479 2.1 15.3 1.0 NZ B:LYS126 2.1 9.8 1.0 S B:SO3482 2.1 28.0 1.0 O1 B:SO3482 2.6 33.1 1.0 C1C B:HEC479 3.0 16.4 1.0 C4C B:HEC479 3.0 16.0 1.0 C4B B:HEC479 3.0 15.3 1.0 C1A B:HEC479 3.1 13.7 1.0 C4D B:HEC479 3.1 13.5 1.0 C1D B:HEC479 3.1 15.1 1.0 C1B B:HEC479 3.1 16.2 1.0 C4A B:HEC479 3.1 16.1 1.0 O2 B:SO3482 3.1 30.2 1.0 O3 B:SO3482 3.1 28.4 1.0 CE B:LYS126 3.2 14.5 1.0 CHC B:HEC479 3.4 15.6 1.0 CHA B:HEC479 3.4 12.3 1.0 CHD B:HEC479 3.4 16.1 1.0 CHB B:HEC479 3.5 17.6 1.0 O B:HOH16 4.2 15.9 1.0 C2C B:HEC479 4.2 17.1 1.0 C3C B:HEC479 4.2 16.5 1.0 C3B B:HEC479 4.3 15.9 1.0 C2A B:HEC479 4.3 15.0 1.0 C2D B:HEC479 4.3 13.7 1.0 C2B B:HEC479 4.3 15.9 1.0 C3D B:HEC479 4.3 12.2 1.0 C3A B:HEC479 4.3 15.4 1.0 NE2 B:HIS264 4.5 14.0 1.0 CD B:LYS126 4.6 13.7 1.0 NH2 B:ARG106 4.9 17.6 1.0 CMD B:HEC3 4.9 14.7 1.0 O B:HOH806 5.0 25.2 1.0

Iron binding site 7 out of 20 in the E. Coli Nrfa Sulfite Ocmplex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of E. Coli Nrfa Sulfite Ocmplex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe480 b:16.8 occ:1.00 FE B:HEC480 0.0 16.8 1.0 NE2 B:HIS164 1.9 18.8 1.0 NB B:HEC480 2.0 16.4 1.0 NA B:HEC480 2.0 17.8 1.0 NE2 B:HIS301 2.0 15.1 1.0 NC B:HEC480 2.1 16.7 1.0 ND B:HEC480 2.1 16.2 1.0 CE1 B:HIS164 2.9 19.7 1.0 CD2 B:HIS164 3.0 20.1 1.0 CE1 B:HIS301 3.0 17.3 1.0 C4B B:HEC480 3.0 15.4 1.0 C4A B:HEC480 3.0 17.5 1.0 C1A B:HEC480 3.0 15.9 1.0 C1B B:HEC480 3.0 16.9 1.0 C1C B:HEC480 3.1 16.1 1.0 CD2 B:HIS301 3.1 16.5 1.0 C4D B:HEC480 3.1 16.3 1.0 C4C B:HEC480 3.1 16.3 1.0 C1D B:HEC480 3.1 17.0 1.0 CHA B:HEC480 3.4 15.8 1.0 CHC B:HEC480 3.4 15.1 1.0 CHB B:HEC480 3.4 15.6 1.0 CHD B:HEC480 3.5 16.4 1.0 ND1 B:HIS164 4.0 19.7 1.0 CG B:HIS164 4.1 20.5 1.0 ND1 B:HIS301 4.1 16.8 1.0 CG B:HIS301 4.2 17.2 1.0 C3A B:HEC480 4.2 17.2 1.0 C3B B:HEC480 4.2 16.1 1.0 C2B B:HEC480 4.2 16.6 1.0 C2A B:HEC480 4.3 16.3 1.0 C2C B:HEC480 4.3 16.4 1.0 C3C B:HEC480 4.3 15.3 1.0 C3D B:HEC480 4.4 15.8 1.0 C2D B:HEC480 4.4 15.1 1.0 CE B:MET287 4.9 20.4 1.0

Iron binding site 8 out of 20 in the E. Coli Nrfa Sulfite Ocmplex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of E. Coli Nrfa Sulfite Ocmplex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe3 b:13.1 occ:1.00 FE B:HEC3 0.0 13.1 1.0 NE2 B:HIS94 2.0 16.1 1.0 ND B:HEC3 2.0 14.3 1.0 NE2 B:HIS213 2.0 8.1 1.0 NB B:HEC3 2.0 14.9 1.0 NA B:HEC3 2.1 14.5 1.0 NC B:HEC3 2.1 13.8 1.0 CE1 B:HIS94 2.9 15.3 1.0 CE1 B:HIS213 3.0 8.3 1.0 CD2 B:HIS213 3.0 8.3 1.0 C4D B:HEC3 3.0 14.2 1.0 CD2 B:HIS94 3.0 16.1 1.0 C1A B:HEC3 3.0 14.5 1.0 C1D B:HEC3 3.0 15.3 1.0 C4B B:HEC3 3.1 15.7 1.0 C1B B:HEC3 3.1 15.0 1.0 C4C B:HEC3 3.1 13.0 1.0 C4A B:HEC3 3.1 13.9 1.0 C1C B:HEC3 3.1 14.4 1.0 CHA B:HEC3 3.3 13.3 1.0 CHD B:HEC3 3.4 14.4 1.0 CHC B:HEC3 3.5 16.2 1.0 CHB B:HEC3 3.5 15.9 1.0 ND1 B:HIS94 4.0 14.5 1.0 ND1 B:HIS213 4.1 9.7 1.0 CG B:HIS94 4.1 14.9 1.0 CG B:HIS213 4.1 11.6 1.0 C3D B:HEC3 4.2 13.0 1.0 C2D B:HEC3 4.3 13.5 1.0 C2A B:HEC3 4.3 15.8 1.0 C3B B:HEC3 4.3 14.2 1.0 C2B B:HEC3 4.3 14.5 1.0 C3A B:HEC3 4.3 12.9 1.0 C3C B:HEC3 4.3 12.9 1.0 C2C B:HEC3 4.4 15.1 1.0

Iron binding site 9 out of 20 in the E. Coli Nrfa Sulfite Ocmplex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of E. Coli Nrfa Sulfite Ocmplex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe4 b:16.1 occ:1.00 FE B:HEC4 0.0 16.1 1.0 NE2 B:HIS286 1.9 16.2 1.0 NE2 B:HIS393 2.0 14.5 1.0 ND B:HEC4 2.0 16.8 1.0 NA B:HEC4 2.0 16.6 1.0 NB B:HEC4 2.1 15.4 1.0 NC B:HEC4 2.1 17.7 1.0 CE1 B:HIS286 2.8 15.2 1.0 CE1 B:HIS393 2.8 13.0 1.0 C4D B:HEC4 3.0 17.3 1.0 C1D B:HEC4 3.0 16.3 1.0 C4C B:HEC4 3.0 17.2 1.0 CD2 B:HIS286 3.0 15.7 1.0 C1A B:HEC4 3.1 16.6 1.0 C4A B:HEC4 3.1 16.5 1.0 C1B B:HEC4 3.1 14.3 1.0 C4B B:HEC4 3.1 16.0 1.0 C1C B:HEC4 3.1 17.1 1.0 CD2 B:HIS393 3.1 13.8 1.0 CHD B:HEC4 3.4 17.2 1.0 CHA B:HEC4 3.4 16.6 1.0 CHB B:HEC4 3.4 13.9 1.0 CHC B:HEC4 3.5 15.5 1.0 ND1 B:HIS286 4.0 15.0 1.0 ND1 B:HIS393 4.0 10.7 1.0 CG B:HIS286 4.1 15.4 1.0 CG B:HIS393 4.2 14.9 1.0 C3D B:HEC4 4.2 15.8 1.0 C2D B:HEC4 4.3 16.9 1.0 C3C B:HEC4 4.3 17.6 1.0 C2A B:HEC4 4.3 17.0 1.0 C3A B:HEC4 4.3 15.5 1.0 C2B B:HEC4 4.3 13.9 1.0 C3B B:HEC4 4.3 13.9 1.0 C2C B:HEC4 4.3 17.6 1.0

Iron binding site 10 out of 20 in the E. Coli Nrfa Sulfite Ocmplex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of E. Coli Nrfa Sulfite Ocmplex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe5 b:19.4 occ:1.00 FE B:HEC5 0.0 19.4 1.0 NC B:HEC5 2.0 17.3 1.0 NB B:HEC5 2.0 16.4 1.0 NA B:HEC5 2.0 17.8 1.0 NE2 B:HIS318 2.0 26.4 1.0 NE2 B:HIS275 2.1 19.0 1.0 ND B:HEC5 2.1 19.2 1.0 CE1 B:HIS318 2.9 25.9 1.0 C4C B:HEC5 3.0 19.0 1.0 C1B B:HEC5 3.0 15.6 1.0 C1C B:HEC5 3.0 17.9 1.0 C4A B:HEC5 3.0 17.7 1.0 C4B B:HEC5 3.0 16.3 1.0 CD2 B:HIS275 3.0 17.8 1.0 CD2 B:HIS318 3.0 23.9 1.0 C1A B:HEC5 3.1 18.4 1.0 CE1 B:HIS275 3.1 19.3 1.0 C1D B:HEC5 3.1 20.7 1.0 C4D B:HEC5 3.2 19.6 1.0 CHB B:HEC5 3.4 16.7 1.0 CHD B:HEC5 3.4 18.8 1.0 CHC B:HEC5 3.4 16.2 1.0 CHA B:HEC5 3.5 18.2 1.0 ND1 B:HIS318 4.1 23.8 1.0 CG B:HIS318 4.1 24.6 1.0 ND1 B:HIS275 4.2 18.6 1.0 CG B:HIS275 4.2 19.6 1.0 C2B B:HEC5 4.2 16.1 1.0 C3C B:HEC5 4.2 18.6 1.0 C2C B:HEC5 4.2 18.4 1.0 C3B B:HEC5 4.2 15.3 1.0 C2A B:HEC5 4.2 20.8 1.0 C3A B:HEC5 4.2 18.9 1.0 C2D B:HEC5 4.3 21.1 1.0 C3D B:HEC5 4.4 21.9 1.0 CBC B:HEC4 4.8 16.5 1.0

G.L.Kemp, T.A.Clarke, S.J.Marritt, C.Lockwood, S.R.Poock, A.M.Hemmings, D.J.Richardson, M.R.Cheesman, J.N.Butt. Kinetic and Thermodynamic Resolution of the Interactions Between Sulfite and the Pentahaem Cytochrome Nrfa From Escherichia Coli Biochem.J. V. 431 73 2010.
ISSN: ISSN 0264-6021
PubMed: 20629638
DOI: 10.1042/BJ20100866