Iron in PDB 3or1: Crystal Structure of Dissimilatory Sulfite Reductase I (Dsri)

The structure of Crystal Structure of Dissimilatory Sulfite Reductase I (Dsri), PDB code: 3or1 was solved by Y.C.Hsieh, M.Y.Liu, V.C.C.Wang, Y.L.Chiang, E.H.Liu, W.G.Wu, S.I.Chan, C.J.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.76
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	114.721, 60.478, 132.915, 90.00, 94.30, 90.00
R / Rfree (%)	19.3 / 21.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 34;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Dissimilatory Sulfite Reductase I (Dsri) (pdb code 3or1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 34 binding sites of Iron where determined in the Crystal Structure of Dissimilatory Sulfite Reductase I (Dsri), PDB code: 3or1:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 34 in the Crystal Structure of Dissimilatory Sulfite Reductase I (Dsri)


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 Dissimilatory Sulfite Reductase I (Dsri) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe580 b:21.0 occ:1.00 FE A:SRM580 0.0 21.0 1.0 ND A:SRM580 2.1 23.9 1.0 NB A:SRM580 2.1 22.5 1.0 NA A:SRM580 2.1 23.2 1.0 NC A:SRM580 2.1 23.4 1.0 SG B:CYS193 2.6 17.4 1.0 S A:SO36575 2.7 40.4 1.0 O2 A:SO36575 3.0 39.2 1.0 C4D A:SRM580 3.0 24.1 1.0 C1A A:SRM580 3.1 24.2 1.0 C1C A:SRM580 3.1 23.9 1.0 C1D A:SRM580 3.1 23.0 1.0 C4B A:SRM580 3.1 24.3 1.0 C4A A:SRM580 3.1 23.9 1.0 C1B A:SRM580 3.1 23.7 1.0 C4C A:SRM580 3.1 24.1 1.0 O1 A:SO36575 3.3 40.2 1.0 CHA A:SRM580 3.3 24.6 1.0 CHC A:SRM580 3.4 24.7 1.0 CHD A:SRM580 3.4 24.0 1.0 CHB A:SRM580 3.4 23.1 1.0 CB B:CYS193 3.7 21.3 1.0 O3 A:SO36575 3.9 40.6 1.0 C3D A:SRM580 4.3 25.5 1.0 C2C A:SRM580 4.3 24.6 1.0 C2D A:SRM580 4.3 24.7 1.0 C3C A:SRM580 4.4 24.4 1.0 C2A A:SRM580 4.4 25.7 1.0 FE1 B:SF4801 4.4 17.0 1.0 C3A A:SRM580 4.4 24.3 1.0 C3B A:SRM580 4.4 24.5 1.0 C2B A:SRM580 4.5 23.9 1.0 CA B:CYS193 4.5 21.6 1.0 NZ A:LYS213 4.8 24.4 1.0 CMA A:SRM580 4.8 25.9 1.0 CAB A:SRM580 4.9 24.6 1.0

Iron binding site 2 out of 34 in the Crystal Structure of Dissimilatory Sulfite Reductase I (Dsri)


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 Dissimilatory Sulfite Reductase I (Dsri) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe803 b:23.7 occ:1.00 FE1 A:SF4803 0.0 23.7 1.0 SG A:CYS303 2.3 22.0 1.0 S4 A:SF4803 2.3 23.8 1.0 S3 A:SF4803 2.4 26.7 1.0 S2 A:SF4803 2.5 26.0 1.0 FE2 A:SF4803 2.9 23.8 1.0 FE3 A:SF4803 3.0 22.8 1.0 FE4 A:SF4803 3.1 24.2 1.0 CB A:CYS303 3.3 20.7 1.0 N A:ARG305 3.7 17.7 1.0 CA A:CYS303 3.7 20.8 1.0 N A:THR304 3.9 18.5 1.0 CA A:ARG305 4.1 18.8 1.0 S1 A:SF4803 4.1 25.0 1.0 C A:CYS303 4.1 20.1 1.0 CD1 A:ILE244 4.3 19.8 1.0 SG A:CYS288 4.4 24.1 1.0 N A:CYS306 4.4 18.5 1.0 C A:THR304 4.7 19.1 1.0 C A:ARG305 4.8 18.6 1.0 CA A:THR304 4.9 18.2 1.0 SG A:CYS309 4.9 20.5 1.0 SG A:CYS284 4.9 21.6 1.0

Iron binding site 3 out of 34 in the Crystal Structure of Dissimilatory Sulfite Reductase I (Dsri)


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 Dissimilatory Sulfite Reductase I (Dsri) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe803 b:23.8 occ:1.00 FE2 A:SF4803 0.0 23.8 1.0 SG A:CYS284 2.3 21.6 1.0 S1 A:SF4803 2.3 25.0 1.0 S3 A:SF4803 2.4 26.7 1.0 S4 A:SF4803 2.6 23.8 1.0 FE1 A:SF4803 2.9 23.7 1.0 FE3 A:SF4803 3.0 22.8 1.0 FE4 A:SF4803 3.1 24.2 1.0 CB A:CYS284 3.3 22.4 1.0 CA A:CYS284 3.9 21.5 1.0 CD A:PRO285 3.9 30.0 1.0 SG A:CYS288 3.9 24.1 1.0 S2 A:SF4803 4.1 26.0 1.0 CG A:MET289 4.2 26.3 1.0 OG1 A:THR286 4.3 22.3 1.0 SD A:MET289 4.3 26.6 1.0 N A:PRO285 4.5 23.2 1.0 C A:CYS284 4.5 22.8 1.0 SG A:CYS306 4.9 19.4 1.0 N A:THR286 4.9 20.8 1.0

Iron binding site 4 out of 34 in the Crystal Structure of Dissimilatory Sulfite Reductase I (Dsri)


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 Dissimilatory Sulfite Reductase I (Dsri) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe803 b:22.8 occ:1.00 FE3 A:SF4803 0.0 22.8 1.0 S2 A:SF4803 2.3 26.0 1.0 SG A:CYS306 2.3 19.4 1.0 S4 A:SF4803 2.4 23.8 1.0 S1 A:SF4803 2.5 25.0 1.0 FE2 A:SF4803 3.0 23.8 1.0 FE1 A:SF4803 3.0 23.7 1.0 FE4 A:SF4803 3.2 24.2 1.0 N A:CYS306 3.3 18.5 1.0 CB A:CYS306 3.3 18.6 1.0 CA A:CYS306 3.7 18.0 1.0 N A:MET307 3.8 19.0 1.0 CD A:PRO285 3.9 30.0 1.0 N A:HIS308 4.0 18.1 1.0 S3 A:SF4803 4.0 26.7 1.0 C A:CYS306 4.1 18.0 1.0 C A:ARG305 4.3 18.6 1.0 CG A:PRO285 4.5 32.2 1.0 CB A:HIS308 4.5 17.7 1.0 N A:ARG305 4.6 17.7 1.0 CA A:ARG305 4.7 18.8 1.0 CA A:MET307 4.7 19.1 1.0 C A:MET307 4.8 19.4 1.0 CA A:HIS308 4.8 18.9 1.0 OG1 A:THR304 4.8 20.8 1.0 N A:CYS309 4.8 21.4 1.0 SG A:CYS284 4.9 21.6 1.0

Iron binding site 5 out of 34 in the Crystal Structure of Dissimilatory Sulfite Reductase I (Dsri)


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 Dissimilatory Sulfite Reductase I (Dsri) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe803 b:24.2 occ:1.00 FE4 A:SF4803 0.0 24.2 1.0 S3 A:SF4803 2.1 26.7 1.0 SG A:CYS309 2.2 20.5 1.0 S1 A:SF4803 2.5 25.0 1.0 S2 A:SF4803 2.6 26.0 1.0 FE2 A:SF4803 3.1 23.8 1.0 FE1 A:SF4803 3.1 23.7 1.0 CB A:CYS309 3.1 20.5 1.0 FE3 A:SF4803 3.2 22.8 1.0 N A:CYS309 3.7 21.4 1.0 CA A:CYS309 4.0 22.1 1.0 SD A:MET289 4.1 26.6 1.0 CD1 A:ILE244 4.2 19.8 1.0 CE A:MET289 4.3 24.6 1.0 S4 A:SF4803 4.3 23.8 1.0 N A:ILE310 4.7 20.2 1.0 CG A:MET289 4.8 26.3 1.0 N A:HIS308 4.8 18.1 1.0 C A:HIS308 4.8 18.7 1.0 C A:CYS309 4.9 22.4 1.0 SG A:CYS303 4.9 22.0 1.0

Iron binding site 6 out of 34 in the Crystal Structure of Dissimilatory Sulfite Reductase I (Dsri)


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 Dissimilatory Sulfite Reductase I (Dsri) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe804 b:19.1 occ:1.00 FE1 A:SF4804 0.0 19.1 1.0 SG A:CYS225 2.2 17.3 1.0 S2 A:SF4804 2.4 22.7 1.0 S4 A:SF4804 2.4 22.8 1.0 S3 A:SF4804 2.5 23.9 1.0 FE2 A:SF4804 2.9 17.7 1.0 FE3 A:SF4804 2.9 18.2 1.0 CB A:CYS225 2.9 16.1 1.0 FE4 A:SF4804 3.0 20.7 1.0 S1 A:SF4804 4.0 23.1 1.0 N A:CYS225 4.0 15.3 1.0 CA A:CYS225 4.1 15.9 1.0 NA B:SRM581 4.4 21.3 1.0 CB A:CYS177 4.6 16.7 1.0 C4A B:SRM581 4.7 21.9 1.0 CB A:ASN223 4.7 17.8 1.0 SG A:CYS177 4.8 17.6 1.0 NB B:SRM581 4.8 20.5 1.0 C1A B:SRM581 4.8 22.2 1.0 SG A:CYS221 4.8 18.0 1.0 SG A:CYS183 4.9 18.7 1.0 CHB B:SRM581 4.9 21.1 1.0 ND B:SRM581 5.0 21.2 1.0 CDA B:SRM581 5.0 23.2 1.0 C1B B:SRM581 5.0 20.4 1.0

Iron binding site 7 out of 34 in the Crystal Structure of Dissimilatory Sulfite Reductase I (Dsri)


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 Dissimilatory Sulfite Reductase I (Dsri) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe804 b:17.7 occ:1.00 FE2 A:SF4804 0.0 17.7 1.0 S3 A:SF4804 2.2 23.9 1.0 SG A:CYS183 2.2 18.7 1.0 S1 A:SF4804 2.4 23.1 1.0 S4 A:SF4804 2.4 22.8 1.0 FE1 A:SF4804 2.9 19.1 1.0 FE3 A:SF4804 2.9 18.2 1.0 FE4 A:SF4804 3.0 20.7 1.0 CB A:CYS183 3.1 20.0 1.0 S2 A:SF4804 4.0 22.7 1.0 CDA B:SRM581 4.2 23.2 1.0 CB A:PHE185 4.3 18.9 1.0 N A:ALA186 4.6 21.3 1.0 CA A:CYS183 4.6 20.3 1.0 CEA B:SRM581 4.6 23.0 1.0 CD1 A:PHE185 4.8 17.1 1.0 SG A:CYS221 4.8 18.0 1.0 O3A B:SRM581 4.9 23.7 1.0 C A:PHE185 4.9 19.6 1.0 CG A:PHE185 4.9 19.6 1.0 N A:PHE185 4.9 20.1 1.0 SG A:CYS225 4.9 17.3 1.0 O A:GLY179 5.0 18.7 1.0 CA A:PHE185 5.0 20.4 1.0 CD1 A:LEU178 5.0 19.4 1.0

Iron binding site 8 out of 34 in the Crystal Structure of Dissimilatory Sulfite Reductase I (Dsri)


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 Dissimilatory Sulfite Reductase I (Dsri) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe804 b:18.2 occ:1.00 FE3 A:SF4804 0.0 18.2 1.0 SG A:CYS177 2.2 17.6 1.0 S1 A:SF4804 2.4 23.1 1.0 S2 A:SF4804 2.4 22.7 1.0 S4 A:SF4804 2.6 22.8 1.0 FE1 A:SF4804 2.9 19.1 1.0 FE2 A:SF4804 2.9 17.7 1.0 CB A:CYS177 3.1 16.7 1.0 FE4 A:SF4804 3.1 20.7 1.0 N A:GLY220 3.5 16.7 1.0 CA A:GLY220 3.8 16.4 1.0 N A:GLY179 4.0 16.5 1.0 S3 A:SF4804 4.1 23.9 1.0 CA A:GLY179 4.2 17.4 1.0 CA A:CYS177 4.5 17.1 1.0 CB A:CYS225 4.5 16.1 1.0 N A:CYS221 4.5 17.0 1.0 C A:GLY220 4.5 16.4 1.0 N A:LEU178 4.7 18.4 1.0 C A:CYS177 4.7 17.6 1.0 C A:ASP219 4.7 15.6 1.0 SG A:CYS225 4.8 17.3 1.0 SG A:CYS183 5.0 18.7 1.0

Iron binding site 9 out of 34 in the Crystal Structure of Dissimilatory Sulfite Reductase I (Dsri)


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 Dissimilatory Sulfite Reductase I (Dsri) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe804 b:20.7 occ:1.00 FE4 A:SF4804 0.0 20.7 1.0 SG A:CYS221 2.1 18.0 1.0 S2 A:SF4804 2.4 22.7 1.0 S1 A:SF4804 2.5 23.1 1.0 S3 A:SF4804 2.5 23.9 1.0 FE1 A:SF4804 3.0 19.1 1.0 FE2 A:SF4804 3.0 17.7 1.0 CB A:CYS221 3.1 16.4 1.0 FE3 A:SF4804 3.1 18.2 1.0 N A:CYS221 3.3 17.0 1.0 CA A:CYS221 3.6 16.5 1.0 O A:CYS221 3.9 16.7 1.0 C A:GLY220 3.9 16.4 1.0 C A:CYS221 4.0 16.3 1.0 CB A:PHE185 4.3 18.9 1.0 CB A:ASN223 4.3 17.8 1.0 CA A:GLY220 4.3 16.4 1.0 S4 A:SF4804 4.4 22.8 1.0 N A:GLY220 4.5 16.7 1.0 ND2 A:ASN223 4.5 19.4 1.0 O A:GLY220 4.6 16.9 1.0 N A:ASN223 4.7 17.9 1.0 SG A:CYS183 4.8 18.7 1.0 CG A:ASN223 4.9 19.4 1.0 SG A:CYS225 4.9 17.3 1.0 C A:PHE185 4.9 19.6 1.0 N A:PRO222 4.9 16.7 1.0 O A:PHE185 5.0 19.6 1.0

Iron binding site 10 out of 34 in the Crystal Structure of Dissimilatory Sulfite Reductase I (Dsri)


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 Dissimilatory Sulfite Reductase I (Dsri) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe801 b:17.0 occ:1.00 FE1 B:SF4801 0.0 17.0 1.0 S4 B:SF4801 2.2 23.2 1.0 SG B:CYS193 2.3 17.4 1.0 S3 B:SF4801 2.3 20.9 1.0 S2 B:SF4801 2.5 22.4 1.0 FE3 B:SF4801 2.9 24.7 1.0 FE2 B:SF4801 2.9 23.3 1.0 FE4 B:SF4801 3.1 24.4 1.0 CB B:CYS193 3.2 21.3 1.0 C4A A:SRM580 3.7 23.9 1.0 NA A:SRM580 3.7 23.2 1.0 CHB A:SRM580 4.0 23.1 1.0 S1 B:SF4801 4.1 24.2 1.0 C3A A:SRM580 4.1 24.3 1.0 C1A A:SRM580 4.2 24.2 1.0 N B:CYS193 4.3 21.8 1.0 C1B A:SRM580 4.4 23.7 1.0 FE A:SRM580 4.4 21.0 1.0 CA B:CYS193 4.4 21.6 1.0 CG2 B:THR145 4.4 24.2 1.0 NB A:SRM580 4.5 22.5 1.0 CHA A:SRM580 4.6 24.6 1.0 CB B:THR145 4.6 22.2 1.0 ND A:SRM580 4.8 23.9 1.0 C2A A:SRM580 4.8 25.7 1.0 CDB A:SRM580 4.9 24.8 1.0 C4D A:SRM580 4.9 24.1 1.0 CB B:ASN191 4.9 20.7 1.0

Y.C.Hsieh, M.Y.Liu, V.C.C.Wang, Y.L.Chiang, E.H.Liu, W.G.Wu, S.I.Chan, C.J.Chen. Structure Insights Into the Enzyme Catalysis From Comparison of Three Forms of Dissimilatory Sulfite Reductase From Desulfovibrio Gigas To Be Published.