Iron in PDB 3mm5: Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite

All present enzymatic activity of Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite:
1.8.99.3;

The structure of Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite, PDB code: 3mm5 was solved by K.Parey, E.Warkentin, 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)	15.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	94.600, 68.900, 145.100, 90.00, 107.50, 90.00
R / Rfree (%)	15.8 / 18.8

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 Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite (pdb code 3mm5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 36 binding sites of Iron where determined in the Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite, PDB code: 3mm5:
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 Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe580 b:10.6 occ:1.00 FE A:SRM580 0.0 10.6 1.0 ND A:SRM580 2.0 10.8 1.0 NC A:SRM580 2.0 8.9 1.0 NA A:SRM580 2.0 9.9 1.0 NB A:SRM580 2.1 9.0 1.0 S A:SO3590 2.3 18.7 1.0 SG B:CYS182 2.6 10.3 1.0 C1C A:SRM580 2.9 10.8 1.0 C4D A:SRM580 3.0 11.9 1.0 C1D A:SRM580 3.0 9.8 1.0 C4A A:SRM580 3.0 10.9 1.0 C1A A:SRM580 3.0 12.0 1.0 C1B A:SRM580 3.0 10.6 1.0 C4B A:SRM580 3.1 10.5 1.0 O3 A:SO3590 3.1 23.3 1.0 C4C A:SRM580 3.1 10.2 1.0 O2 A:SO3590 3.1 30.7 1.0 O1 A:SO3590 3.2 30.1 1.0 CHC A:SRM580 3.3 10.2 1.0 CHB A:SRM580 3.3 10.6 1.0 CHA A:SRM580 3.4 12.4 1.0 CHD A:SRM580 3.4 10.6 1.0 CB B:CYS182 3.6 9.4 1.0 CA B:CYS182 4.2 9.7 1.0 C3A A:SRM580 4.2 10.9 1.0 C2C A:SRM580 4.2 9.1 1.0 C3D A:SRM580 4.3 11.0 1.0 C2D A:SRM580 4.3 10.5 1.0 FE3 B:SF4585 4.3 8.8 1.0 C3B A:SRM580 4.3 10.4 1.0 C3C A:SRM580 4.3 8.7 1.0 C2A A:SRM580 4.3 12.4 1.0 C2B A:SRM580 4.4 9.9 1.0 NZ A:LYS211 4.7 9.5 1.0 NZ A:LYS213 4.8 6.8 1.0 NH2 A:ARG98 4.9 9.1 1.0 CDB A:SRM580 4.9 11.8 1.0 CAB A:SRM580 4.9 10.6 1.0 N B:CYS182 5.0 9.8 1.0 CMA A:SRM580 5.0 14.5 1.0

Iron binding site 2 out of 36 in the Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe575 b:7.8 occ:1.00 FE1 A:SF4575 0.0 7.8 1.0 SG A:CYS219 2.2 6.4 1.0 S3 A:SF4575 2.3 7.2 1.0 S4 A:SF4575 2.3 9.9 1.0 S2 A:SF4575 2.3 8.2 1.0 FE2 A:SF4575 2.7 8.5 1.0 FE4 A:SF4575 2.7 8.5 1.0 FE3 A:SF4575 2.7 7.8 1.0 CB A:CYS219 3.2 7.4 1.0 N A:CYS219 3.3 7.8 1.0 CA A:CYS219 3.7 7.7 1.0 S1 A:SF4575 3.9 8.2 1.0 C A:GLY218 4.0 7.8 1.0 O A:CYS219 4.0 8.0 1.0 C A:CYS219 4.1 8.0 1.0 CB A:PHE183 4.3 6.6 1.0 CB A:ASN221 4.4 9.2 1.0 CA A:GLY218 4.4 7.6 1.0 N A:GLY218 4.4 7.0 1.0 SG A:CYS223 4.5 10.4 1.0 SG A:CYS181 4.6 7.5 1.0 ND2 A:ASN221 4.6 9.0 1.0 N A:ASN221 4.7 7.3 1.0 O A:GLY218 4.8 8.4 1.0 SG A:CYS175 4.8 8.1 1.0 N A:ASP222 5.0 8.8 1.0 N A:PRO220 5.0 7.7 1.0

Iron binding site 3 out of 36 in the Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe575 b:8.5 occ:1.00 FE2 A:SF4575 0.0 8.5 1.0 S4 A:SF4575 2.2 9.9 1.0 SG A:CYS223 2.2 10.4 1.0 S1 A:SF4575 2.3 8.2 1.0 S3 A:SF4575 2.3 7.2 1.0 FE1 A:SF4575 2.7 7.8 1.0 FE4 A:SF4575 2.7 8.5 1.0 FE3 A:SF4575 2.7 7.8 1.0 CB A:CYS223 3.0 10.0 1.0 S2 A:SF4575 3.8 8.2 1.0 N A:CYS223 4.1 8.2 1.0 FE B:SRM570 4.2 8.1 1.0 CA A:CYS223 4.2 9.3 1.0 NA B:SRM570 4.2 7.8 1.0 CB A:ASN221 4.3 9.2 1.0 SG A:CYS219 4.4 6.4 1.0 SG A:CYS175 4.6 8.1 1.0 C4A B:SRM570 4.7 8.2 1.0 NB B:SRM570 4.7 7.5 1.0 CB A:CYS175 4.7 7.2 1.0 C1A B:SRM570 4.8 7.6 1.0 ND B:SRM570 4.8 6.5 1.0 CHB B:SRM570 4.8 8.0 1.0 SG A:CYS181 4.8 7.5 1.0 CDA B:SRM570 4.8 7.3 1.0 C1B B:SRM570 4.9 7.2 1.0 N A:ASP222 5.0 8.8 1.0 ND2 A:ASN221 5.0 9.0 1.0

Iron binding site 4 out of 36 in the Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe575 b:7.8 occ:1.00 FE3 A:SF4575 0.0 7.8 1.0 S1 A:SF4575 2.3 8.2 1.0 S4 A:SF4575 2.3 9.9 1.0 SG A:CYS181 2.3 7.5 1.0 S2 A:SF4575 2.3 8.2 1.0 FE4 A:SF4575 2.7 8.5 1.0 FE2 A:SF4575 2.7 8.5 1.0 FE1 A:SF4575 2.7 7.8 1.0 CB A:CYS181 3.1 7.9 1.0 S3 A:SF4575 3.9 7.2 1.0 CDA B:SRM570 4.1 7.3 1.0 CB A:PHE183 4.2 6.6 1.0 SG A:CYS219 4.5 6.4 1.0 CA A:CYS181 4.6 7.4 1.0 CE A:MET176 4.7 7.0 1.0 CEA B:SRM570 4.7 8.4 1.0 SG A:CYS175 4.8 8.1 1.0 CD2 A:PHE183 4.8 7.0 1.0 SG A:CYS223 4.8 10.4 1.0 CG A:PHE183 4.9 7.5 1.0 N A:ALA184 4.9 7.7 1.0 CA A:PHE183 4.9 7.5 1.0 N A:PHE183 4.9 7.2 1.0 O4A B:SRM570 5.0 9.8 1.0 CG A:MET176 5.0 7.8 1.0

Iron binding site 5 out of 36 in the Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe575 b:8.5 occ:1.00 FE4 A:SF4575 0.0 8.5 1.0 S2 A:SF4575 2.2 8.2 1.0 SG A:CYS175 2.3 8.1 1.0 S3 A:SF4575 2.3 7.2 1.0 S1 A:SF4575 2.4 8.2 1.0 FE2 A:SF4575 2.7 8.5 1.0 FE1 A:SF4575 2.7 7.8 1.0 FE3 A:SF4575 2.7 7.8 1.0 CB A:CYS175 3.3 7.2 1.0 N A:GLY218 3.6 7.0 1.0 S4 A:SF4575 3.8 9.9 1.0 CA A:GLY218 3.9 7.6 1.0 N A:GLY177 4.1 7.3 1.0 N A:CYS219 4.3 7.8 1.0 CA A:GLY177 4.4 7.5 1.0 CB A:CYS223 4.5 10.0 1.0 C A:GLY218 4.5 7.8 1.0 SG A:CYS223 4.6 10.4 1.0 CA A:CYS175 4.6 8.5 1.0 C A:ALA217 4.7 7.3 1.0 C A:CYS175 4.8 7.4 1.0 N A:MET176 4.8 7.8 1.0 SG A:CYS181 4.8 7.5 1.0 SG A:CYS219 4.8 6.4 1.0 CB A:CYS181 5.0 7.9 1.0

Iron binding site 6 out of 36 in the Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe576 b:7.2 occ:1.00 FE1 A:SF4576 0.0 7.2 1.0 S4 A:SF4576 2.3 8.1 1.0 S3 A:SF4576 2.3 5.9 1.0 S2 A:SF4576 2.3 6.3 1.0 SG A:CYS291 2.3 7.0 1.0 FE4 A:SF4576 2.6 7.3 1.0 FE2 A:SF4576 2.7 8.3 1.0 FE3 A:SF4576 2.8 7.3 1.0 CB A:CYS291 3.2 6.7 1.0 N A:CYS291 3.8 6.3 1.0 S1 A:SF4576 3.9 7.5 1.0 CA A:CYS291 4.1 6.4 1.0 CD1 A:ILE242 4.3 7.1 1.0 SG A:CYS285 4.7 8.0 1.0 CG2 A:ILE271 4.7 11.1 1.0 N A:HIS290 4.7 6.2 1.0 SG A:CYS288 4.8 6.6 1.0 SG A:CYS266 4.8 8.0 1.0 CB A:ILE271 4.9 12.6 1.0 CD1 A:ILE271 4.9 11.9 1.0 C A:HIS290 4.9 6.5 1.0 N A:ILE292 5.0 6.8 1.0 C A:MET289 5.0 7.2 1.0

Iron binding site 7 out of 36 in the Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe576 b:8.3 occ:1.00 FE2 A:SF4576 0.0 8.3 1.0 SG A:CYS266 2.3 8.0 1.0 S4 A:SF4576 2.3 8.1 1.0 S1 A:SF4576 2.3 7.5 1.0 S3 A:SF4576 2.3 5.9 1.0 FE3 A:SF4576 2.6 7.3 1.0 FE1 A:SF4576 2.7 7.2 1.0 FE4 A:SF4576 2.7 7.3 1.0 CB A:CYS266 3.4 8.2 1.0 S2 A:SF4576 3.8 6.3 1.0 CD A:PRO267 3.9 8.8 1.0 CA A:CYS266 4.0 7.9 1.0 CG2 A:ILE271 4.1 11.1 1.0 CB A:ALA270 4.3 11.7 1.0 SG A:CYS288 4.5 6.6 1.0 N A:PRO267 4.6 8.4 1.0 C A:CYS266 4.7 8.2 1.0 OG1 A:THR268 4.7 9.6 1.0 N A:ALA270 4.8 10.0 1.0 CB A:ILE271 4.8 12.6 1.0 CG A:PRO267 4.9 9.1 1.0 SG A:CYS291 4.9 7.0 1.0 SG A:CYS285 4.9 8.0 1.0 N A:ILE271 5.0 11.4 1.0

Iron binding site 8 out of 36 in the Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe576 b:7.3 occ:1.00 FE3 A:SF4576 0.0 7.3 1.0 S1 A:SF4576 2.3 7.5 1.0 SG A:CYS288 2.3 6.6 1.0 S4 A:SF4576 2.3 8.1 1.0 S2 A:SF4576 2.3 6.3 1.0 FE2 A:SF4576 2.6 8.3 1.0 FE4 A:SF4576 2.7 7.3 1.0 FE1 A:SF4576 2.8 7.2 1.0 CB A:CYS288 3.4 7.2 1.0 N A:CYS288 3.4 6.7 1.0 CA A:CYS288 3.8 7.8 1.0 N A:MET289 3.8 7.4 1.0 CD A:PRO267 3.9 8.8 1.0 S3 A:SF4576 3.9 5.9 1.0 N A:HIS290 4.0 6.2 1.0 C A:CYS288 4.1 7.0 1.0 CG A:PRO267 4.4 9.1 1.0 SG A:CYS266 4.5 8.0 1.0 C A:ARG287 4.5 7.9 1.0 C A:MET289 4.6 7.2 1.0 CB A:HIS290 4.7 5.7 1.0 N A:CYS291 4.7 6.3 1.0 N A:ARG287 4.7 7.4 1.0 CA A:MET289 4.7 6.8 1.0 SG A:CYS291 4.8 7.0 1.0 SG A:CYS285 4.8 8.0 1.0 CA A:HIS290 4.8 6.2 1.0 CA A:ARG287 4.8 7.7 1.0

Iron binding site 9 out of 36 in the Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe576 b:7.3 occ:1.00 FE4 A:SF4576 0.0 7.3 1.0 S2 A:SF4576 2.3 6.3 1.0 S1 A:SF4576 2.3 7.5 1.0 S3 A:SF4576 2.3 5.9 1.0 SG A:CYS285 2.3 8.0 1.0 FE1 A:SF4576 2.6 7.2 1.0 FE2 A:SF4576 2.7 8.3 1.0 FE3 A:SF4576 2.7 7.3 1.0 CB A:CYS285 3.3 7.5 1.0 CA A:CYS285 3.7 7.3 1.0 N A:ARG287 3.8 7.4 1.0 S4 A:SF4576 3.9 8.1 1.0 N A:VAL286 3.9 6.8 1.0 CD1 A:ILE242 4.2 7.1 1.0 C A:CYS285 4.3 7.7 1.0 CA A:ARG287 4.3 7.7 1.0 N A:CYS288 4.3 6.7 1.0 SG A:CYS291 4.6 7.0 1.0 CB A:ALA270 4.7 11.7 1.0 SG A:CYS266 4.8 8.0 1.0 C A:ARG287 4.8 7.9 1.0 C A:VAL286 4.9 6.9 1.0 SG A:CYS288 4.9 6.6 1.0

Iron binding site 10 out of 36 in the Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Dissimilatory Sulfite Reductase in Complex with the Substrate Sulfite within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe585 b:13.9 occ:1.00 FE1 B:SF4585 0.0 13.9 1.0 S2 B:SF4585 2.3 11.0 1.0 S4 B:SF4585 2.3 10.0 1.0 S3 B:SF4585 2.3 13.4 1.0 SG B:CYS177 2.4 14.2 1.0 FE3 B:SF4585 2.8 8.8 1.0 FE4 B:SF4585 2.8 11.2 1.0 FE2 B:SF4585 2.8 9.4 1.0 OG1 B:THR134 3.0 15.8 1.0 CB B:CYS177 3.4 10.4 1.0 N B:CYS177 3.8 9.0 1.0 S1 B:SF4585 3.9 10.3 1.0 CA B:CYS177 4.0 10.2 1.0 CB B:THR134 4.1 13.4 1.0 N B:GLN135 4.1 10.2 1.0 N B:CYS178 4.1 8.6 1.0 N B:GLY136 4.3 8.6 1.0 C B:CYS177 4.4 9.4 1.0 O B:HOH712 4.5 23.6 1.0 SG B:CYS182 4.7 10.3 1.0 SG B:CYS140 4.7 10.6 1.0 CB B:CYS140 4.8 7.8 1.0 CB B:CYS182 4.8 9.4 1.0 C B:THR134 4.9 11.6 1.0 SG B:CYS178 4.9 9.7 1.0 CA B:GLN135 5.0 10.0 1.0 CA B:THR134 5.0 11.8 1.0 O B:HOH508 5.0 35.4 1.0

K.Parey, E.Warkentin, P.M.Kroneck, U.Ermler. Reaction Cycle of the Dissimilatory Sulfite Reductase From Archaeoglobus Fulgidus. Biochemistry V. 49 8912 2010.
ISSN: ISSN 0006-2960
PubMed: 20822098
DOI: 10.1021/BI100781F