Iron in PDB 3mmc: Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus

All present enzymatic activity of Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus:
1.8.99.3;

The structure of Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus, PDB code: 3mmc was solved by A.Schiffer, K.Parey, E.Warkentin, K.Diederichs, H.Huber, K.O.Stetter, P.M.H.Kroneck, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.11 / 2.04
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	94.910, 69.260, 147.210, 90.00, 107.00, 90.00
R / Rfree (%)	18.6 / 22.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 36;

Binding sites:

The binding sites of Iron atom in the Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus (pdb code 3mmc). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 36 binding sites of Iron where determined in the Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus, PDB code: 3mmc:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 36 in the Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe580 b:21.4 occ:1.00 FE A:SRM580 0.0 21.4 1.0 ND A:SRM580 2.0 19.6 1.0 NC A:SRM580 2.1 17.5 1.0 NB A:SRM580 2.1 20.4 1.0 NA A:SRM580 2.1 22.5 1.0 SG B:CYS182 2.7 20.1 1.0 C4D A:SRM580 2.9 20.0 1.0 C2 A:GOL590 2.9 29.4 1.0 C1D A:SRM580 3.0 22.6 1.0 O3 A:GOL590 3.0 25.5 1.0 C1C A:SRM580 3.0 19.5 1.0 C4C A:SRM580 3.1 17.8 1.0 C1A A:SRM580 3.1 25.9 1.0 C4B A:SRM580 3.1 20.8 1.0 O2 A:GOL590 3.1 32.7 1.0 C4A A:SRM580 3.1 28.7 1.0 C1B A:SRM580 3.1 23.5 1.0 C3 A:GOL590 3.2 30.6 1.0 CHA A:SRM580 3.2 21.4 1.0 CHC A:SRM580 3.3 17.1 1.0 CHD A:SRM580 3.4 17.6 1.0 CHB A:SRM580 3.5 28.1 1.0 CB B:CYS182 3.6 19.0 1.0 C3D A:SRM580 4.2 24.1 1.0 C1 A:GOL590 4.3 37.1 1.0 C2D A:SRM580 4.3 22.9 1.0 C3A A:SRM580 4.3 28.0 1.0 C3B A:SRM580 4.3 22.2 1.0 C2C A:SRM580 4.4 19.1 1.0 C3C A:SRM580 4.4 16.0 1.0 FE3 B:SF4585 4.4 17.8 0.9 CA B:CYS182 4.5 21.6 1.0 C2A A:SRM580 4.5 30.5 1.0 C2B A:SRM580 4.5 23.8 1.0 NZ A:LYS211 4.8 11.1 1.0 NZ A:LYS213 4.9 7.9 1.0 OD1 B:ASN180 5.0 29.8 1.0

Iron binding site 2 out of 36 in the Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe575 b:7.6 occ:1.00 FE1 A:SF4575 0.0 7.6 1.0 S2 A:SF4575 2.3 8.3 1.0 S3 A:SF4575 2.3 8.8 1.0 S4 A:SF4575 2.3 10.2 1.0 SG A:CYS219 2.3 3.3 1.0 FE2 A:SF4575 2.7 9.9 1.0 FE4 A:SF4575 2.7 8.3 1.0 FE3 A:SF4575 2.7 11.9 1.0 CB A:CYS219 3.2 4.7 1.0 N A:CYS219 3.5 5.5 1.0 CA A:CYS219 3.8 5.7 1.0 S1 A:SF4575 3.9 10.6 1.0 C A:GLY218 4.0 5.9 1.0 O A:CYS219 4.0 6.0 1.0 C A:CYS219 4.1 6.6 1.0 CA A:GLY218 4.4 5.8 1.0 CB A:ASN221 4.4 10.1 1.0 N A:GLY218 4.4 5.5 1.0 CB A:PHE183 4.5 7.1 1.0 SG A:CYS223 4.5 13.6 1.0 SG A:CYS181 4.6 11.9 1.0 ND2 A:ASN221 4.6 10.7 1.0 O A:GLY218 4.7 6.7 1.0 N A:ASN221 4.8 9.7 1.0 N A:ASP222 4.9 9.9 1.0 SG A:CYS175 5.0 11.0 1.0

Iron binding site 3 out of 36 in the Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe575 b:9.9 occ:1.00 FE2 A:SF4575 0.0 9.9 1.0 SG A:CYS223 2.2 13.6 1.0 S4 A:SF4575 2.3 10.2 1.0 S1 A:SF4575 2.3 10.6 1.0 S3 A:SF4575 2.3 8.8 1.0 FE4 A:SF4575 2.6 8.3 1.0 FE3 A:SF4575 2.7 11.9 1.0 FE1 A:SF4575 2.7 7.6 1.0 CB A:CYS223 3.2 12.3 1.0 S2 A:SF4575 3.8 8.3 1.0 N A:CYS223 4.1 11.7 1.0 FE B:SRM570 4.2 9.6 1.0 NA B:SRM570 4.2 8.2 1.0 CA A:CYS223 4.3 10.8 1.0 CB A:ASN221 4.4 10.1 1.0 CB A:CYS175 4.6 9.1 1.0 C4A B:SRM570 4.6 8.5 1.0 SG A:CYS219 4.6 3.3 1.0 SG A:CYS175 4.7 11.0 1.0 NB B:SRM570 4.7 7.3 1.0 C1A B:SRM570 4.7 9.0 1.0 SG A:CYS181 4.8 11.9 1.0 CHB B:SRM570 4.8 7.4 1.0 C1B B:SRM570 4.8 7.1 1.0 ND B:SRM570 4.9 8.6 1.0

Iron binding site 4 out of 36 in the Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe575 b:11.9 occ:1.00 FE3 A:SF4575 0.0 11.9 1.0 S1 A:SF4575 2.2 10.6 1.0 SG A:CYS181 2.2 11.9 1.0 S2 A:SF4575 2.3 8.3 1.0 S4 A:SF4575 2.3 10.2 1.0 FE2 A:SF4575 2.7 9.9 1.0 FE4 A:SF4575 2.7 8.3 1.0 FE1 A:SF4575 2.7 7.6 1.0 CB A:CYS181 3.2 11.1 1.0 S3 A:SF4575 3.9 8.8 1.0 CDA B:SRM570 4.3 10.6 1.0 CB A:PHE183 4.4 7.1 1.0 SG A:CYS219 4.5 3.3 1.0 CE A:MET176 4.7 7.0 1.0 CA A:CYS181 4.7 10.8 1.0 N A:ALA184 4.7 10.2 1.0 SG A:CYS223 4.8 13.6 1.0 CEA B:SRM570 4.8 11.8 1.0 CD2 A:PHE183 4.8 6.3 1.0 SG A:CYS175 4.9 11.0 1.0 CG A:PHE183 5.0 6.7 1.0

Iron binding site 5 out of 36 in the Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe575 b:8.3 occ:1.00 FE4 A:SF4575 0.0 8.3 1.0 S3 A:SF4575 2.3 8.8 1.0 S2 A:SF4575 2.3 8.3 1.0 S1 A:SF4575 2.3 10.6 1.0 SG A:CYS175 2.5 11.0 1.0 FE2 A:SF4575 2.6 9.9 1.0 FE1 A:SF4575 2.7 7.6 1.0 FE3 A:SF4575 2.7 11.9 1.0 CB A:CYS175 3.2 9.1 1.0 N A:GLY218 3.7 5.5 1.0 S4 A:SF4575 3.8 10.2 1.0 CA A:GLY218 4.1 5.8 1.0 N A:GLY177 4.1 7.0 1.0 CA A:GLY177 4.4 6.8 1.0 SG A:CYS223 4.5 13.6 1.0 N A:CYS219 4.5 5.5 1.0 CB A:CYS223 4.6 12.3 1.0 CA A:CYS175 4.6 8.0 1.0 C A:GLY218 4.6 5.9 1.0 SG A:CYS181 4.8 11.9 1.0 C A:CYS175 4.8 6.8 1.0 C A:ALA217 4.8 6.6 1.0 SG A:CYS219 5.0 3.3 1.0 N A:MET176 5.0 7.1 1.0

Iron binding site 6 out of 36 in the Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe576 b:5.0 occ:1.00 FE1 A:SF4576 0.0 5.0 1.0 SG A:CYS291 2.2 5.1 1.0 S4 A:SF4576 2.3 6.1 1.0 S3 A:SF4576 2.3 4.9 1.0 S2 A:SF4576 2.4 5.5 1.0 FE4 A:SF4576 2.5 6.2 1.0 FE3 A:SF4576 2.7 6.3 1.0 FE2 A:SF4576 2.8 5.8 1.0 CB A:CYS291 3.3 5.7 1.0 N A:CYS291 3.7 5.9 1.0 S1 A:SF4576 3.9 6.0 1.0 CA A:CYS291 4.1 5.9 1.0 CD1 A:ILE242 4.4 11.3 1.0 SG A:CYS285 4.6 8.8 1.0 SG A:CYS288 4.6 7.7 1.0 N A:HIS290 4.8 5.3 1.0 C A:HIS290 4.9 5.8 1.0 N A:MET289 4.9 6.0 1.0 C A:MET289 4.9 5.3 1.0 N A:ILE292 4.9 6.3 1.0 SG A:CYS266 5.0 11.9 1.0 CG2 A:ILE271 5.0 8.8 1.0 CD1 A:ILE271 5.0 10.1 1.0

Iron binding site 7 out of 36 in the Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe576 b:5.8 occ:1.00 FE2 A:SF4576 0.0 5.8 1.0 S1 A:SF4576 2.3 6.0 1.0 S3 A:SF4576 2.3 4.9 1.0 S4 A:SF4576 2.3 6.1 1.0 SG A:CYS266 2.4 11.9 1.0 FE3 A:SF4576 2.6 6.3 1.0 FE4 A:SF4576 2.7 6.2 1.0 FE1 A:SF4576 2.8 5.0 1.0 CB A:CYS266 3.3 11.9 1.0 S2 A:SF4576 4.0 5.5 1.0 CA A:CYS266 4.0 11.6 1.0 CD A:PRO267 4.1 11.3 1.0 CG2 A:ILE271 4.2 8.8 1.0 OG1 A:THR268 4.4 11.0 1.0 CB A:ALA270 4.5 6.5 1.0 SG A:CYS288 4.6 7.7 1.0 N A:PRO267 4.6 11.3 1.0 C A:CYS266 4.6 11.9 1.0 SG A:CYS291 4.8 5.1 1.0 CB A:ILE271 4.8 9.6 1.0 SG A:CYS285 4.8 8.8 1.0 N A:ALA270 4.8 6.8 1.0 CG A:PRO267 4.8 11.1 1.0

Iron binding site 8 out of 36 in the Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe576 b:6.3 occ:1.00 FE3 A:SF4576 0.0 6.3 1.0 S1 A:SF4576 2.3 6.0 1.0 S4 A:SF4576 2.3 6.1 1.0 SG A:CYS288 2.3 7.7 1.0 S2 A:SF4576 2.3 5.5 1.0 FE4 A:SF4576 2.6 6.2 1.0 FE2 A:SF4576 2.6 5.8 1.0 FE1 A:SF4576 2.7 5.0 1.0 CB A:CYS288 3.4 7.5 1.0 N A:CYS288 3.5 8.9 1.0 N A:MET289 3.8 6.0 1.0 S3 A:SF4576 3.9 4.9 1.0 CA A:CYS288 3.9 7.5 1.0 CD A:PRO267 3.9 11.3 1.0 C A:CYS288 4.2 7.1 1.0 N A:HIS290 4.2 5.3 1.0 CG A:PRO267 4.3 11.1 1.0 N A:ARG287 4.6 9.4 1.0 SG A:CYS266 4.6 11.9 1.0 C A:ARG287 4.6 9.6 1.0 SG A:CYS291 4.7 5.1 1.0 CA A:MET289 4.7 5.7 1.0 C A:MET289 4.8 5.3 1.0 SG A:CYS285 4.8 8.8 1.0 N A:CYS291 4.8 5.9 1.0 CA A:ARG287 4.9 8.9 1.0 CB A:HIS290 4.9 5.2 1.0 CA A:HIS290 5.0 5.5 1.0

Iron binding site 9 out of 36 in the Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe576 b:6.2 occ:1.00 FE4 A:SF4576 0.0 6.2 1.0 S1 A:SF4576 2.3 6.0 1.0 S3 A:SF4576 2.3 4.9 1.0 S2 A:SF4576 2.3 5.5 1.0 SG A:CYS285 2.4 8.8 1.0 FE1 A:SF4576 2.5 5.0 1.0 FE3 A:SF4576 2.6 6.3 1.0 FE2 A:SF4576 2.7 5.8 1.0 CB A:CYS285 3.4 8.7 1.0 S4 A:SF4576 3.8 6.1 1.0 CA A:CYS285 3.8 8.9 1.0 N A:ARG287 3.9 9.4 1.0 N A:VAL286 4.0 9.0 1.0 CD1 A:ILE242 4.3 11.3 1.0 C A:CYS285 4.3 8.6 1.0 CA A:ARG287 4.3 8.9 1.0 N A:CYS288 4.4 8.9 1.0 SG A:CYS291 4.5 5.1 1.0 SG A:CYS288 4.8 7.7 1.0 SG A:CYS266 4.8 11.9 1.0 C A:VAL286 4.9 9.2 1.0 C A:ARG287 4.9 9.6 1.0

Iron binding site 10 out of 36 in the Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Structure of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe585 b:36.8 occ:0.90 FE1 B:SF4585 0.0 36.8 0.9 S2 B:SF4585 2.3 19.5 0.9 S4 B:SF4585 2.3 19.1 0.9 S3 B:SF4585 2.3 20.3 0.9 FE4 B:SF4585 2.7 20.6 0.9 FE3 B:SF4585 2.7 17.8 0.9 FE2 B:SF4585 2.8 18.3 0.9 OG1 B:THR134 3.1 21.6 1.0 SG B:CYS177 3.1 28.4 1.0 CB B:CYS177 3.2 16.0 1.0 CB B:THR134 3.7 15.6 1.0 N B:CYS177 3.7 11.2 1.0 S1 B:SF4585 3.8 16.7 0.9 CA B:CYS177 3.9 12.7 1.0 N B:GLN135 4.2 11.8 1.0 N B:CYS178 4.2 10.8 1.0 N B:GLY136 4.2 10.6 1.0 O B:HOH4370 4.3 28.2 1.0 C B:CYS177 4.3 11.1 1.0 CG2 B:THR134 4.6 21.2 1.0 SG B:CYS140 4.7 11.5 1.0 SG B:CYS178 4.8 12.2 1.0 CB B:CYS140 4.8 10.1 1.0 SG B:CYS182 4.8 20.1 1.0 CA B:THR134 4.9 14.9 1.0 CA B:GLY136 4.9 10.5 1.0 C B:ALA176 4.9 11.1 1.0 C B:THR134 4.9 13.3 1.0

A.Schiffer, K.Parey, E.Warkentin, K.Diederichs, H.Huber, K.O.Stetter, P.M.Kroneck, U.Ermler. Structure of the Dissimilatory Sulfite Reductase From the Hyperthermophilic Archaeon Archaeoglobus Fulgidus. J.Mol.Biol. V. 379 1063 2008.
ISSN: ISSN 0022-2836
PubMed: 18495156
DOI: 10.1016/J.JMB.2008.04.027