Iron in PDB 7np8: Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution

All present enzymatic activity of Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution:
1.8.98.3;

The structure of Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution, PDB code: 7np8 was solved by M.Jespersen, T.Wagner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	78.82 / 2.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	167.258, 172.202, 195.888, 90, 90, 90
R / Rfree (%)	18.2 / 20.5

The structure of Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution also contains other interesting chemical elements:

Calcium	(Ca)	9 atoms
Chlorine	(Cl)	6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 70; Page 8, Binding sites: 71 - 80; Page 9, Binding sites: 81 - 90; Page 10, Binding sites: 91 - 100; Page 11, Binding sites: 101 - 101;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution (pdb code 7np8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 101 binding sites of Iron where determined in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution, PDB code: 7np8:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 101 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution


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 Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1101 b:36.9 occ:1.00 FE1 A:SF41101 0.0 36.9 1.0 SG A:CYS259 2.3 35.7 1.0 S4 A:SF41101 2.3 38.2 1.0 S2 A:SF41101 2.3 43.2 1.0 S3 A:SF41101 2.3 33.9 1.0 FE3 A:SF41101 2.7 39.0 1.0 FE2 A:SF41101 2.7 36.2 1.0 FE4 A:SF41101 2.7 35.9 1.0 CB A:CYS259 3.0 33.4 1.0 NZ A:LYS315 3.5 30.8 1.0 S1 A:SF41101 3.9 36.2 1.0 NH2 A:ARG56 4.0 37.1 1.0 CE A:LYS315 4.1 28.8 1.0 CA A:CYS259 4.4 36.3 1.0 CA A:CYS256 4.5 33.4 1.0 O A:ASP261 4.6 32.9 1.0 SG A:CYS160 4.7 39.1 1.0 CB A:CYS160 4.7 35.1 1.0 SG A:CYS256 4.7 33.6 1.0 O A:CYS256 4.8 33.5 1.0 CB A:CYS256 4.9 34.2 1.0 SG A:CYS201 4.9 34.7 1.0 O A:GLY255 5.0 40.5 1.0

Iron binding site 2 out of 101 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution


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 Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1101 b:36.2 occ:1.00 FE2 A:SF41101 0.0 36.2 1.0 SG A:CYS256 2.2 33.6 1.0 S1 A:SF41101 2.3 36.2 1.0 S4 A:SF41101 2.3 38.2 1.0 S3 A:SF41101 2.3 33.9 1.0 FE4 A:SF41101 2.7 35.9 1.0 FE1 A:SF41101 2.7 36.9 1.0 FE3 A:SF41101 2.7 39.0 1.0 CB A:CYS256 3.2 34.2 1.0 CA A:CYS256 3.5 33.4 1.0 S2 A:SF41101 3.9 43.2 1.0 N A:CYS256 4.1 34.9 1.0 CE A:LYS204 4.4 34.4 1.0 CA A:GLU203 4.4 46.3 1.0 CG A:LYS204 4.5 34.3 1.0 N A:LYS204 4.5 40.9 1.0 SG A:CYS201 4.6 34.7 1.0 NZ A:LYS204 4.7 31.9 1.0 C A:GLU203 4.7 43.2 1.0 C A:CYS256 4.7 32.9 1.0 CB A:CYS259 4.8 33.4 1.0 C A:GLY255 4.8 38.1 1.0 CD A:LYS204 4.8 34.8 1.0 SG A:CYS259 4.9 35.7 1.0 O A:ALA16 4.9 35.2 1.0 O A:CYS256 4.9 33.5 1.0 O A:GLY255 4.9 40.5 1.0 SG A:CYS160 4.9 39.1 1.0 N A:GLU203 5.0 43.4 1.0

Iron binding site 3 out of 101 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution


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 Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1101 b:39.0 occ:1.00 FE3 A:SF41101 0.0 39.0 1.0 S4 A:SF41101 2.3 38.2 1.0 S2 A:SF41101 2.3 43.2 1.0 SG A:CYS160 2.3 39.1 1.0 S1 A:SF41101 2.3 36.2 1.0 FE1 A:SF41101 2.7 36.9 1.0 FE2 A:SF41101 2.7 36.2 1.0 FE4 A:SF41101 2.8 35.9 1.0 CB A:CYS160 3.2 35.1 1.0 NZ A:LYS204 3.8 31.9 1.0 S3 A:SF41101 4.0 33.9 1.0 N A:CYS160 4.1 30.1 1.0 O A:ALA16 4.3 35.2 1.0 CA A:CYS160 4.3 32.2 1.0 CB A:LEU158 4.4 28.6 1.0 CE A:LYS204 4.4 34.4 1.0 CB A:ALA16 4.6 28.0 1.0 CD1 A:LEU158 4.6 30.2 1.0 SG A:CYS259 4.6 35.7 1.0 SG A:CYS201 4.7 34.7 1.0 SG A:CYS256 4.8 33.6 1.0 NH2 A:ARG56 4.8 37.1 1.0

Iron binding site 4 out of 101 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution


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 Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1101 b:35.9 occ:1.00 FE4 A:SF41101 0.0 35.9 1.0 SG A:CYS201 2.3 34.7 1.0 S3 A:SF41101 2.3 33.9 1.0 S2 A:SF41101 2.3 43.2 1.0 S1 A:SF41101 2.3 36.2 1.0 FE2 A:SF41101 2.7 36.2 1.0 FE1 A:SF41101 2.7 36.9 1.0 FE3 A:SF41101 2.8 39.0 1.0 CB A:CYS201 3.3 34.6 1.0 NZ A:LYS315 3.9 30.8 1.0 S4 A:SF41101 3.9 38.2 1.0 C A:CYS201 4.3 41.0 1.0 N A:GLU203 4.3 43.4 1.0 CA A:CYS201 4.4 36.0 1.0 O A:CYS201 4.4 46.6 1.0 CA A:GLU203 4.5 46.3 1.0 CD A:PRO159 4.5 35.8 1.0 SG A:CYS256 4.5 33.6 1.0 CB A:LEU158 4.6 28.6 1.0 C A:THR202 4.6 43.8 1.0 N A:THR202 4.6 43.3 1.0 CD1 A:LEU158 4.7 30.2 1.0 C A:GLU203 4.7 43.2 1.0 SG A:CYS259 4.8 35.7 1.0 SG A:CYS160 4.8 39.1 1.0 O A:THR202 5.0 39.3 1.0 CG A:PRO159 5.0 34.5 1.0 CE A:LYS315 5.0 28.8 1.0

Iron binding site 5 out of 101 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution


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 Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1102 b:37.0 occ:1.00 FE1 A:SF41102 0.0 37.0 1.0 OE2 A:GLU180 2.3 40.2 1.0 S3 A:SF41102 2.3 41.2 1.0 S4 A:SF41102 2.3 35.0 1.0 S2 A:SF41102 2.3 30.1 1.0 OE1 A:GLU180 2.6 45.5 1.0 FE4 A:SF41102 2.7 34.5 1.0 FE2 A:SF41102 2.7 38.1 1.0 FE3 A:SF41102 2.7 36.4 1.0 CD A:GLU180 2.7 41.4 1.0 S1 A:SF41102 3.9 36.8 1.0 CD A:ARG44 3.9 39.4 1.0 CD A:PRO26 4.2 38.0 1.0 CG A:GLU180 4.2 36.9 1.0 N A:MET49 4.4 25.9 1.0 CA A:GLY48 4.5 26.6 1.0 SG A:CYS25 4.6 32.7 1.0 O A:HOH1287 4.6 51.5 1.0 NE A:ARG44 4.6 41.8 1.0 SG A:CYS42 4.7 43.7 1.0 CG A:PRO26 4.8 35.4 1.0 SG A:CYS50 4.8 34.7 1.0 C A:GLY48 4.9 26.8 1.0

Iron binding site 6 out of 101 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution


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 Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1102 b:38.1 occ:1.00 FE2 A:SF41102 0.0 38.1 1.0 SG A:CYS50 2.3 34.7 1.0 S4 A:SF41102 2.3 35.0 1.0 S3 A:SF41102 2.3 41.2 1.0 S1 A:SF41102 2.3 36.8 1.0 FE3 A:SF41102 2.7 36.4 1.0 FE1 A:SF41102 2.7 37.0 1.0 FE4 A:SF41102 2.7 34.5 1.0 CB A:CYS50 3.4 35.3 1.0 N A:CYS50 3.9 34.4 1.0 S2 A:SF41102 4.0 30.1 1.0 CA A:CYS50 4.3 34.8 1.0 NE1 A:TRP4 4.3 30.6 1.0 CA A:GLY46 4.4 28.8 1.0 OE1 A:GLU180 4.5 45.5 1.0 CD1 A:LEU30 4.5 26.8 1.0 SG A:CYS42 4.6 43.7 1.0 O A:GLY46 4.6 38.1 1.0 N A:MET49 4.6 25.9 1.0 CA A:GLY48 4.6 26.6 1.0 C A:GLY46 4.6 33.2 1.0 C A:GLY48 4.7 26.8 1.0 N A:GLY48 4.8 28.5 1.0 SG A:CYS25 4.8 32.7 1.0 OE2 A:GLU180 5.0 40.2 1.0

Iron binding site 7 out of 101 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution


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 Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1102 b:36.4 occ:1.00 FE3 A:SF41102 0.0 36.4 1.0 SG A:CYS42 2.3 43.7 1.0 S2 A:SF41102 2.3 30.1 1.0 S4 A:SF41102 2.3 35.0 1.0 S1 A:SF41102 2.3 36.8 1.0 FE4 A:SF41102 2.7 34.5 1.0 FE2 A:SF41102 2.7 38.1 1.0 FE1 A:SF41102 2.7 37.0 1.0 CB A:CYS42 3.5 42.6 1.0 S3 A:SF41102 3.9 41.2 1.0 CD1 A:ILE29 4.2 32.7 1.0 CA A:GLY46 4.4 28.8 1.0 N A:GLY46 4.5 30.7 1.0 CA A:CYS42 4.5 42.1 1.0 OE2 A:GLU180 4.5 40.2 1.0 CD A:ARG44 4.5 39.4 1.0 O A:HOH1334 4.7 48.8 1.0 SG A:CYS25 4.8 32.7 1.0 SG A:CYS50 4.8 34.7 1.0 CG1 A:ILE29 4.8 34.1 1.0 CB A:ARG44 4.8 34.9 1.0

Iron binding site 8 out of 101 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution


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 Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1102 b:34.5 occ:1.00 FE4 A:SF41102 0.0 34.5 1.0 SG A:CYS25 2.3 32.7 1.0 S2 A:SF41102 2.3 30.1 1.0 S1 A:SF41102 2.3 36.8 1.0 S3 A:SF41102 2.3 41.2 1.0 FE1 A:SF41102 2.7 37.0 1.0 FE3 A:SF41102 2.7 36.4 1.0 FE2 A:SF41102 2.7 38.1 1.0 CB A:CYS25 3.3 27.7 1.0 CA A:CYS25 3.8 32.8 1.0 S4 A:SF41102 3.9 35.0 1.0 CG1 A:ILE29 4.1 34.1 1.0 CD A:PRO26 4.3 38.0 1.0 CD1 A:ILE29 4.4 32.7 1.0 CD1 A:LEU30 4.5 26.8 1.0 OE2 A:GLU180 4.5 40.2 1.0 C A:CYS25 4.6 38.7 1.0 CG A:LEU30 4.7 30.2 1.0 N A:PRO26 4.8 40.9 1.0 SG A:CYS50 4.8 34.7 1.0 SG A:CYS42 4.9 43.7 1.0

Iron binding site 9 out of 101 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution


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 Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1103 b:31.8 occ:1.00 FE1 A:SF41103 0.0 31.8 1.0 SG A:CYS505 2.2 33.0 1.0 S4 A:SF41103 2.3 34.3 1.0 S2 A:SF41103 2.3 39.3 1.0 S3 A:SF41103 2.3 33.9 1.0 FE4 A:SF41103 2.7 42.7 1.0 FE3 A:SF41103 2.7 39.9 1.0 FE2 A:SF41103 2.7 33.6 1.0 CB A:CYS505 3.2 29.1 1.0 S1 A:SF41103 3.9 36.5 1.0 CA A:CYS505 4.0 29.0 1.0 CG2 A:VAL507 4.3 19.7 1.0 CD1 A:ILE510 4.3 29.3 1.0 CB A:ALA509 4.4 23.4 1.0 SG A:CYS527 4.5 37.0 1.0 O A:HOH1307 4.5 49.4 1.0 CG1 A:ILE510 4.5 24.6 1.0 SG A:CYS524 4.7 33.3 1.0 SG A:CYS530 4.8 35.6 1.0 N A:ALA509 4.8 30.1 1.0 C A:CYS505 4.9 32.8 1.0

Iron binding site 10 out of 101 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution


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 Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1103 b:33.6 occ:1.00 FE2 A:SF41103 0.0 33.6 1.0 SG A:CYS524 2.2 33.3 1.0 S4 A:SF41103 2.3 34.3 1.0 S1 A:SF41103 2.3 36.5 1.0 S3 A:SF41103 2.3 33.9 1.0 FE3 A:SF41103 2.7 39.9 1.0 FE1 A:SF41103 2.7 31.8 1.0 FE4 A:SF41103 2.7 42.7 1.0 CB A:CYS524 3.3 28.4 1.0 CA A:CYS524 3.8 29.8 1.0 S2 A:SF41103 4.0 39.3 1.0 N A:GLY526 4.0 28.7 1.0 N A:VAL525 4.1 33.0 1.0 CD A:PRO488 4.1 27.0 1.0 CG A:PRO488 4.2 23.7 1.0 C A:CYS524 4.3 33.3 1.0 CA A:GLY526 4.4 23.1 1.0 N A:CYS527 4.5 28.9 1.0 SG A:CYS530 4.7 35.6 1.0 SG A:CYS505 4.7 33.0 1.0 CG2 A:THR519 4.8 25.9 1.0 SG A:CYS527 4.9 37.0 1.0 CB A:ALA509 4.9 23.4 1.0 C A:GLY526 5.0 29.3 1.0

M.Jespersen, T.Wagner. The Structure of the F420-Dependent Sulfite-Detoxifying Enzyme From Methanococcales Reveals A Prototypical Sulfite-Reductase with Assimilatory Traits. To Be Published.