Iron in PDB 2bs3: Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes

All present enzymatic activity of Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes:
1.3.99.1;

The structure of Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes, PDB code: 2bs3 was solved by C.R.D.Lancaster, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.58 / 2.19
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	85.104, 188.766, 117.817, 90.00, 104.47, 90.00
R / Rfree (%)	18.3 / 19.8

The structure of Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 22;

Binding sites:

The binding sites of Iron atom in the Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes (pdb code 2bs3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 22 binding sites of Iron where determined in the Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes, PDB code: 2bs3:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 22 in the Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1240 b:18.4 occ:1.00 FE1 B:FES1240 0.0 18.4 1.0 SG B:CYS65 2.1 20.7 1.0 S1 B:FES1240 2.2 18.8 1.0 SG B:CYS77 2.2 22.4 1.0 S2 B:FES1240 2.2 18.8 1.0 FE2 B:FES1240 2.7 17.9 1.0 CB B:CYS77 3.4 21.6 1.0 CB B:CYS65 3.4 20.4 1.0 N B:CYS65 3.9 20.7 1.0 N B:GLY60 4.2 23.3 1.0 SG B:CYS57 4.2 20.5 1.0 N B:CYS77 4.3 22.3 1.0 CA B:CYS65 4.3 21.1 1.0 CA B:GLY60 4.4 21.6 1.0 CA B:CYS77 4.4 24.3 1.0 N B:ARG58 4.5 19.4 1.0 CA B:ARG58 4.6 21.3 1.0 CD1 B:PHE55 4.6 16.8 1.0 SG B:CYS62 4.6 16.4 1.0 CB B:LEU75 4.7 19.6 1.0 N B:SER64 4.7 18.1 1.0 CD2 B:LEU75 4.8 17.8 1.0 N B:ALA59 4.9 21.9 1.0 CE1 B:PHE55 4.9 17.6 1.0

Iron binding site 2 out of 22 in the Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1240 b:17.9 occ:1.00 FE2 B:FES1240 0.0 17.9 1.0 SG B:CYS62 2.2 16.4 1.0 S1 B:FES1240 2.2 18.8 1.0 SG B:CYS57 2.2 20.5 1.0 S2 B:FES1240 2.2 18.8 1.0 FE1 B:FES1240 2.7 18.4 1.0 CB B:CYS62 3.5 17.4 1.0 N B:CYS62 3.5 18.6 1.0 CB B:CYS57 3.6 16.0 1.0 N B:CYS57 3.6 16.9 1.0 N B:ARG58 3.8 19.4 1.0 N B:GLY63 3.8 15.3 1.0 CA B:CYS62 3.9 16.9 1.0 CA B:CYS57 4.0 18.0 1.0 N B:SER64 4.0 18.1 1.0 C B:CYS62 4.2 15.6 1.0 SG B:CYS77 4.2 22.4 1.0 N B:ILE61 4.3 22.6 1.0 CB B:SER64 4.3 20.0 1.0 C B:CYS57 4.3 18.4 1.0 N B:GLY60 4.3 23.3 1.0 N B:VAL56 4.5 15.9 1.0 N B:ALA59 4.6 21.9 1.0 SG B:CYS65 4.6 20.7 1.0 C B:VAL56 4.6 16.7 1.0 CA B:ARG58 4.7 21.3 1.0 CA B:GLY60 4.7 21.6 1.0 C B:ILE61 4.7 20.9 1.0 CA B:SER64 4.7 19.4 1.0 N B:CYS65 4.8 20.7 1.0 CA B:GLY63 4.8 14.9 1.0 CB B:VAL56 4.8 16.4 1.0 C B:GLY60 4.8 22.1 1.0 CA B:VAL56 4.9 16.0 1.0 C B:GLY63 4.9 18.4 1.0

Iron binding site 3 out of 22 in the Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1241 b:20.1 occ:1.00 FE1 B:F3S1241 0.0 20.1 1.0 SG B:CYS161 2.2 20.0 1.0 S1 B:F3S1241 2.2 21.6 1.0 S2 B:F3S1241 2.3 21.5 1.0 S3 B:F3S1241 2.3 20.5 1.0 FE3 B:F3S1241 2.7 20.1 1.0 FE4 B:F3S1241 2.8 20.6 1.0 CB B:CYS161 3.4 17.8 1.0 S4 B:F3S1241 3.8 21.2 1.0 CA B:CYS161 4.1 18.6 1.0 CE2 B:PHE170 4.1 20.6 1.0 O B:HOH2103 4.1 19.6 1.0 OG1 B:THR163 4.3 23.3 1.0 CB B:THR163 4.4 20.7 1.0 CD1 B:LEU211 4.7 19.8 1.0 CB B:LEU211 4.7 21.9 1.0 CZ B:PHE170 4.8 20.0 1.0 SG B:CYS214 4.8 20.1 1.0 SG B:CYS208 4.8 20.3 1.0 C B:CYS161 4.8 19.4 1.0 CG B:LEU211 4.8 23.1 1.0 N B:LEU211 4.9 22.6 1.0 N B:THR163 5.0 19.4 1.0

Iron binding site 4 out of 22 in the Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1241 b:20.1 occ:1.00 FE3 B:F3S1241 0.0 20.1 1.0 SG B:CYS208 2.2 20.3 1.0 S1 B:F3S1241 2.2 21.6 1.0 S4 B:F3S1241 2.3 21.2 1.0 S3 B:F3S1241 2.3 20.5 1.0 FE1 B:F3S1241 2.7 20.1 1.0 FE4 B:F3S1241 2.8 20.6 1.0 CB B:CYS208 3.5 21.4 1.0 N B:THR210 3.7 21.5 1.0 CA B:CYS208 3.9 20.4 1.0 S2 B:F3S1241 3.9 21.5 1.0 N B:MET209 4.0 21.1 1.0 CA B:THR210 4.1 21.6 1.0 N B:LEU211 4.3 22.6 1.0 C B:CYS208 4.3 21.1 1.0 O B:HOH2143 4.4 23.5 1.0 CZ B:PHE170 4.5 20.0 1.0 CE2 B:PHE170 4.7 20.6 1.0 SG B:CYS161 4.7 20.0 1.0 C B:MET209 4.7 22.1 1.0 C B:THR210 4.7 22.2 1.0 CD1 B:ILE228 4.8 19.7 1.0 SG B:CYS214 4.8 20.1 1.0 CA B:MET209 5.0 22.1 1.0 N B:LEU212 5.0 21.4 1.0

Iron binding site 5 out of 22 in the Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1241 b:20.6 occ:1.00 FE4 B:F3S1241 0.0 20.6 1.0 SG B:CYS214 2.2 20.1 1.0 S3 B:F3S1241 2.2 20.5 1.0 S4 B:F3S1241 2.2 21.2 1.0 S2 B:F3S1241 2.3 21.5 1.0 FE1 B:F3S1241 2.8 20.1 1.0 FE3 B:F3S1241 2.8 20.1 1.0 CB B:CYS214 3.2 20.0 1.0 S1 B:F3S1241 3.9 21.6 1.0 N B:CYS214 4.0 21.2 1.0 N B:LEU212 4.1 21.4 1.0 CA B:CYS214 4.2 21.4 1.0 CA B:LEU212 4.3 21.8 1.0 CB B:ALA173 4.3 16.3 1.0 CD1 B:ILE228 4.5 19.7 1.0 N B:ALA213 4.5 20.6 1.0 C B:LEU212 4.6 20.9 1.0 SG B:CYS161 4.7 20.0 1.0 SG B:CYS208 4.7 20.3 1.0 O B:HOH2103 4.9 19.6 1.0 N B:LEU211 4.9 22.6 1.0

Iron binding site 6 out of 22 in the Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1242 b:19.1 occ:1.00 FE1 B:SF41242 0.0 19.1 1.0 SG B:CYS157 2.1 18.1 1.0 S2 B:SF41242 2.3 19.8 1.0 S3 B:SF41242 2.3 18.6 1.0 S4 B:SF41242 2.3 18.4 1.0 FE4 B:SF41242 2.7 19.7 1.0 FE3 B:SF41242 2.8 19.9 1.0 FE2 B:SF41242 2.8 18.8 1.0 CB B:CYS157 3.2 17.1 1.0 S1 B:SF41242 3.9 19.8 1.0 N B:CYS157 3.9 17.8 1.0 CA B:CYS157 4.2 18.4 1.0 CB B:ALA174 4.2 17.5 1.0 SG B:CYS154 4.6 19.6 1.0 SG B:CYS151 4.6 18.9 1.0 SG B:CYS218 4.7 18.8 1.0 CA B:ALA174 4.7 18.9 1.0 N B:ALA174 4.9 19.5 1.0 N B:CYS156 4.9 16.6 1.0 N B:GLY155 4.9 18.8 1.0

Iron binding site 7 out of 22 in the Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1242 b:18.8 occ:1.00 FE2 B:SF41242 0.0 18.8 1.0 SG B:CYS154 2.2 19.6 1.0 S3 B:SF41242 2.3 18.6 1.0 S4 B:SF41242 2.3 18.4 1.0 S1 B:SF41242 2.3 19.8 1.0 FE3 B:SF41242 2.7 19.9 1.0 FE1 B:SF41242 2.8 19.1 1.0 FE4 B:SF41242 2.8 19.7 1.0 N B:CYS154 3.6 18.2 1.0 CB B:CYS154 3.6 17.8 1.0 S2 B:SF41242 3.9 19.8 1.0 N B:GLY155 4.0 18.8 1.0 CA B:CYS154 4.0 18.8 1.0 CD B:PRO219 4.3 23.9 1.0 N B:CYS156 4.4 16.6 1.0 C B:CYS154 4.4 18.1 1.0 CG1 B:ILE152 4.5 17.8 1.0 N B:GLU153 4.5 17.6 1.0 CG B:PRO219 4.5 25.6 1.0 SG B:CYS151 4.6 18.9 1.0 C B:GLU153 4.6 17.9 1.0 SG B:CYS157 4.6 18.1 1.0 SG B:CYS218 4.7 18.8 1.0 CA B:GLU153 4.8 17.0 1.0 N B:ILE152 4.8 18.4 1.0 CB B:CYS156 4.9 17.3 1.0 N B:CYS157 4.9 17.8 1.0 CA B:GLY155 5.0 17.7 1.0

Iron binding site 8 out of 22 in the Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1242 b:19.9 occ:1.00 FE3 B:SF41242 0.0 19.9 1.0 SG B:CYS151 2.2 18.9 1.0 S1 B:SF41242 2.2 19.8 1.0 S4 B:SF41242 2.2 18.4 1.0 S2 B:SF41242 2.2 19.8 1.0 FE2 B:SF41242 2.7 18.8 1.0 FE1 B:SF41242 2.8 19.1 1.0 FE4 B:SF41242 2.8 19.7 1.0 CB B:CYS151 3.3 17.2 1.0 CA B:CYS151 3.7 18.6 1.0 S3 B:SF41242 3.9 18.6 1.0 N B:ILE152 3.9 18.4 1.0 N B:GLU153 4.0 17.6 1.0 C B:CYS151 4.2 18.2 1.0 CA B:GLU153 4.5 17.0 1.0 CD2 B:LEU222 4.7 28.1 1.0 N B:CYS154 4.7 18.2 1.0 SG B:CYS157 4.7 18.1 1.0 CB B:ALA174 4.8 17.5 1.0 SG B:CYS154 4.8 19.6 1.0 SG B:CYS218 4.8 18.8 1.0 O B:HOH2114 4.8 21.1 1.0 C B:ILE152 4.9 19.0 1.0 CA B:ILE152 4.9 17.8 1.0

Iron binding site 9 out of 22 in the Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1242 b:19.7 occ:1.00 FE4 B:SF41242 0.0 19.7 1.0 SG B:CYS218 2.2 18.8 1.0 S3 B:SF41242 2.3 18.6 1.0 S2 B:SF41242 2.3 19.8 1.0 S1 B:SF41242 2.3 19.8 1.0 FE1 B:SF41242 2.7 19.1 1.0 FE2 B:SF41242 2.8 18.8 1.0 FE3 B:SF41242 2.8 19.9 1.0 CB B:CYS218 3.4 22.4 1.0 S4 B:SF41242 3.9 18.4 1.0 CA B:CYS218 3.9 22.2 1.0 CD B:PRO219 4.3 23.9 1.0 C B:CYS218 4.6 23.6 1.0 SG B:CYS154 4.6 19.6 1.0 SG B:CYS157 4.6 18.1 1.0 CD2 B:LEU222 4.7 28.1 1.0 N B:PRO219 4.7 25.6 1.0 CD1 B:LEU224 4.8 18.2 1.0 CD1 B:LEU222 4.8 27.4 1.0 SG B:CYS151 4.8 18.9 1.0 N B:LYS220 4.9 25.5 1.0 CB B:CYS157 4.9 17.1 1.0 CB B:LYS220 4.9 29.1 1.0 CG B:LYS220 5.0 31.9 1.0 CG B:PRO219 5.0 25.6 1.0

Iron binding site 10 out of 22 in the Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Glu C180 -> Gln Variant Quinol:Fumarate Reductase From Wolinella Succinogenes within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1255 b:25.1 occ:1.00 FE C:HEM1255 0.0 25.1 1.0 NA C:HEM1255 2.0 26.8 1.0 NE2 C:HIS182 2.0 24.8 1.0 ND C:HEM1255 2.0 26.5 1.0 NB C:HEM1255 2.0 28.3 1.0 NE2 C:HIS93 2.0 23.5 1.0 NC C:HEM1255 2.1 27.6 1.0 CD2 C:HIS182 3.0 26.1 1.0 CD2 C:HIS93 3.0 24.4 1.0 C4A C:HEM1255 3.0 27.4 1.0 CE1 C:HIS182 3.0 25.3 1.0 C1A C:HEM1255 3.0 26.6 1.0 CE1 C:HIS93 3.0 23.0 1.0 C1B C:HEM1255 3.1 28.4 1.0 C4D C:HEM1255 3.1 24.5 1.0 C1D C:HEM1255 3.1 25.2 1.0 C4C C:HEM1255 3.1 29.2 1.0 C4B C:HEM1255 3.1 28.6 1.0 C1C C:HEM1255 3.1 29.0 1.0 CHB C:HEM1255 3.4 27.5 1.0 CHA C:HEM1255 3.4 24.7 1.0 CHD C:HEM1255 3.4 26.6 1.0 CHC C:HEM1255 3.5 28.4 1.0 ND1 C:HIS182 4.1 24.7 1.0 ND1 C:HIS93 4.1 22.2 1.0 CG C:HIS182 4.1 26.4 1.0 CG C:HIS93 4.2 23.4 1.0 C2A C:HEM1255 4.2 26.8 1.0 C3A C:HEM1255 4.2 27.1 1.0 C2B C:HEM1255 4.3 29.2 1.0 C3D C:HEM1255 4.3 25.8 1.0 C2D C:HEM1255 4.3 25.6 1.0 C3B C:HEM1255 4.3 30.1 1.0 C3C C:HEM1255 4.3 29.1 1.0 C2C C:HEM1255 4.3 28.8 1.0 O C:HOH2032 4.3 30.9 1.0

C.R.D.Lancaster, U.S.Sauer, R.Gross, A.H.Haas, J.Graf, H.Schwalbe, W.Maentele, J.Simon, G.Madej. Experimental Support For the E-Pathway Hypothesis of Coupled Transmembrane Electron and Proton Transfer in Dihemic Quinol:Fumarate Reductase Proc.Natl.Acad.Sci.Usa V. 102 18860 2005.
ISSN: ISSN 0027-8424
PubMed: 16380425
DOI: 10.1073/PNAS.0509711102