Iron in PDB 6cin: Crystal Structure of Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica

The structure of Crystal Structure of Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica, PDB code: 6cin was solved by P.Y.-T.Chen, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	88.95 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	340.611, 106.634, 239.079, 90.00, 109.31, 90.00
R / Rfree (%)	19.5 / 22.7

The structure of Crystal Structure of Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica also contains other interesting chemical elements:

Magnesium

(Mg)

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 - 72;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica (pdb code 6cin). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 72 binding sites of Iron where determined in the Crystal Structure of Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica, PDB code: 6cin:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 72 in the Crystal Structure of Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica


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 Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1201 b:0.5 occ:1.00 FE1 A:SF41201 0.0 0.5 1.0 S4 A:SF41201 2.3 0.2 1.0 SG A:CYS686 2.3 0.3 1.0 S3 A:SF41201 2.3 0.4 1.0 S2 A:SF41201 2.3 95.1 1.0 FE3 A:SF41201 2.7 0.9 1.0 FE4 A:SF41201 2.7 98.9 1.0 FE2 A:SF41201 2.7 0.4 1.0 CB A:CYS686 3.4 0.3 1.0 CA A:CYS686 3.8 0.4 1.0 NE1 A:TRP681 3.8 0.4 1.0 S1 A:SF41201 3.9 98.9 1.0 N A:GLN688 4.0 0.1 1.0 N A:ILE687 4.1 0.1 1.0 CG1 A:ILE735 4.2 91.2 1.0 C A:CYS686 4.4 0.7 1.0 CB A:ALA758 4.5 0.1 1.0 CA A:GLN688 4.5 0.3 1.0 N A:CYS689 4.6 0.1 1.0 CD1 A:TRP681 4.6 0.3 1.0 CD1 A:ILE735 4.8 89.0 1.0 SG A:CYS752 4.8 0.2 1.0 SG A:CYS692 4.8 0.7 1.0 CE2 A:TRP681 4.9 0.1 1.0 SG A:CYS689 4.9 0.1 1.0

Iron binding site 2 out of 72 in the Crystal Structure of Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica


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 Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1201 b:0.4 occ:1.00 FE2 A:SF41201 0.0 0.4 1.0 S1 A:SF41201 2.3 98.9 1.0 S3 A:SF41201 2.3 0.4 1.0 S4 A:SF41201 2.3 0.2 1.0 SG A:CYS689 2.3 0.1 1.0 FE3 A:SF41201 2.7 0.9 1.0 FE1 A:SF41201 2.7 0.5 1.0 FE4 A:SF41201 2.7 98.9 1.0 N A:CYS689 3.6 0.1 1.0 CB A:CYS689 3.6 0.6 1.0 N A:ASN690 3.8 0.9 1.0 S2 A:SF41201 3.9 95.1 1.0 CA A:CYS689 4.0 0.4 1.0 CD A:PRO753 4.1 98.9 1.0 C A:CYS689 4.2 0.2 1.0 N A:GLN691 4.3 0.3 1.0 CG1 A:ILE687 4.5 0.6 1.0 N A:GLN688 4.6 0.1 1.0 SG A:CYS692 4.7 0.7 1.0 SG A:CYS752 4.7 0.2 1.0 SG A:CYS686 4.7 0.3 1.0 C A:GLN688 4.7 0.7 1.0 CA A:ASN690 4.7 0.5 1.0 CG A:PRO753 4.8 0.7 1.0 N A:CYS692 4.9 97.2 1.0 CA A:GLN688 5.0 0.3 1.0

Iron binding site 3 out of 72 in the Crystal Structure of Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica


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 Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1201 b:0.9 occ:1.00 FE3 A:SF41201 0.0 0.9 1.0 S1 A:SF41201 2.3 98.9 1.0 S4 A:SF41201 2.3 0.2 1.0 SG A:CYS692 2.3 0.7 1.0 S2 A:SF41201 2.3 95.1 1.0 FE1 A:SF41201 2.7 0.5 1.0 FE2 A:SF41201 2.7 0.4 1.0 FE4 A:SF41201 2.7 98.9 1.0 CB A:CYS692 3.4 97.4 1.0 S3 A:SF41201 3.9 0.4 1.0 N A:CYS692 4.0 97.2 1.0 CD1 A:ILE735 4.3 89.0 1.0 CG1 A:ILE735 4.3 91.2 1.0 CA A:CYS692 4.3 95.4 1.0 CD1 A:LEU759 4.4 0.9 1.0 N A:ASN690 4.6 0.9 1.0 CG2 A:ILE735 4.6 88.5 1.0 SG A:CYS689 4.7 0.1 1.0 N A:GLN691 4.7 0.3 1.0 CA A:ASN690 4.8 0.5 1.0 SG A:CYS686 4.8 0.3 1.0 SG A:CYS752 4.8 0.2 1.0 CG A:LEU759 4.9 0.8 1.0

Iron binding site 4 out of 72 in the Crystal Structure of Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica


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 Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1201 b:98.9 occ:1.00 FE4 A:SF41201 0.0 98.9 1.0 S1 A:SF41201 2.3 98.9 1.0 S3 A:SF41201 2.3 0.4 1.0 SG A:CYS752 2.3 0.2 1.0 S2 A:SF41201 2.3 95.1 1.0 FE1 A:SF41201 2.7 0.5 1.0 FE3 A:SF41201 2.7 0.9 1.0 FE2 A:SF41201 2.7 0.4 1.0 CB A:CYS752 3.4 0.1 1.0 CA A:CYS752 3.8 0.4 1.0 CB A:ALA758 3.9 0.1 1.0 S4 A:SF41201 3.9 0.2 1.0 CD A:PRO753 4.3 98.9 1.0 C A:CYS752 4.6 0.0 1.0 CG A:LEU759 4.7 0.8 1.0 N A:PRO753 4.7 1.0 1.0 SG A:CYS689 4.7 0.1 1.0 CD1 A:LEU759 4.8 0.9 1.0 SG A:CYS692 4.8 0.7 1.0 SG A:CYS686 4.8 0.3 1.0 CA A:ALA758 4.9 0.7 1.0 N A:ALA758 5.0 0.6 1.0

Iron binding site 5 out of 72 in the Crystal Structure of Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica


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 Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1202 b:82.3 occ:1.00 FE1 A:SF41202 0.0 82.3 1.0 S2 A:SF41202 2.3 88.4 1.0 S4 A:SF41202 2.3 75.2 1.0 S3 A:SF41202 2.3 79.0 1.0 SG A:CYS696 2.3 82.4 1.0 FE2 A:SF41202 2.7 78.4 1.0 FE3 A:SF41202 2.7 86.6 1.0 FE4 A:SF41202 2.7 84.8 1.0 CB A:CYS696 3.4 84.8 1.0 S1 A:SF41202 3.9 81.2 1.0 CA A:CYS696 4.0 88.0 1.0 CB A:ALA700 4.0 78.3 1.0 CG2 A:ILE701 4.2 86.4 1.0 CD A:PRO697 4.4 95.2 1.0 N A:ALA700 4.5 75.2 1.0 C A:CYS696 4.6 89.9 1.0 CA A:ALA700 4.7 77.0 1.0 N A:PRO697 4.7 92.5 1.0 N A:ILE701 4.7 81.4 1.0 SG A:CYS745 4.7 92.8 1.0 SG A:CYS748 4.8 93.0 1.0 SG A:CYS742 4.9 89.8 1.0 C A:ALA700 4.9 81.1 1.0 CB A:ILE701 4.9 86.2 1.0 N A:HIS698 5.0 80.2 1.0

Iron binding site 6 out of 72 in the Crystal Structure of Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica


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 Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1202 b:78.4 occ:1.00 FE2 A:SF41202 0.0 78.4 1.0 SG A:CYS742 2.3 89.8 1.0 S4 A:SF41202 2.3 75.2 1.0 S3 A:SF41202 2.3 79.0 1.0 S1 A:SF41202 2.3 81.2 1.0 FE1 A:SF41202 2.7 82.3 1.0 FE4 A:SF41202 2.7 84.8 1.0 FE3 A:SF41202 2.7 86.6 1.0 CB A:CYS742 3.3 87.5 1.0 N A:THR743 3.7 87.8 1.0 CA A:CYS742 3.8 86.0 1.0 S2 A:SF41202 3.9 88.4 1.0 N A:GLY744 3.9 88.6 1.0 CD A:PRO679 4.0 91.9 1.0 C A:CYS742 4.2 88.6 1.0 CB A:ALA700 4.5 78.3 1.0 CG A:PRO679 4.5 92.3 1.0 CA A:GLY744 4.6 90.5 1.0 OG1 A:THR743 4.6 90.3 1.0 N A:CYS745 4.7 89.6 1.0 CA A:THR743 4.8 87.5 1.0 C A:THR743 4.8 87.0 1.0 SG A:CYS748 4.8 93.0 1.0 SG A:CYS696 4.9 82.4 1.0 CG2 A:VAL737 4.9 80.9 1.0 SG A:CYS745 4.9 92.8 1.0

Iron binding site 7 out of 72 in the Crystal Structure of Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica


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 Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1202 b:86.6 occ:1.00 FE3 A:SF41202 0.0 86.6 1.0 S1 A:SF41202 2.3 81.2 1.0 S2 A:SF41202 2.3 88.4 1.0 S4 A:SF41202 2.3 75.2 1.0 SG A:CYS745 2.3 92.8 1.0 FE1 A:SF41202 2.7 82.3 1.0 FE2 A:SF41202 2.7 78.4 1.0 FE4 A:SF41202 2.7 84.8 1.0 CB A:CYS745 3.6 90.2 1.0 N A:GLY746 3.6 86.7 1.0 N A:CYS745 3.7 89.6 1.0 S3 A:SF41202 3.9 79.0 1.0 CA A:CYS745 4.0 88.7 1.0 OG1 A:THR743 4.0 90.3 1.0 N A:ASN747 4.2 86.5 1.0 C A:CYS745 4.3 86.5 1.0 O A:HOH1306 4.3 70.5 1.0 CD A:PRO697 4.4 95.2 1.0 CA A:GLY746 4.6 87.7 1.0 N A:GLY744 4.6 88.6 1.0 C A:GLY744 4.7 91.1 1.0 SG A:CYS748 4.7 93.0 1.0 SG A:CYS742 4.7 89.8 1.0 SG A:CYS696 4.7 82.4 1.0 C A:GLY746 4.8 88.6 1.0 CG A:PRO697 4.9 92.5 1.0 N A:CYS748 4.9 89.5 1.0 CB A:ASN747 4.9 85.3 1.0 N A:THR743 5.0 87.8 1.0

Iron binding site 8 out of 72 in the Crystal Structure of Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica


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 Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1202 b:84.8 occ:1.00 FE4 A:SF41202 0.0 84.8 1.0 S2 A:SF41202 2.3 88.4 1.0 S3 A:SF41202 2.3 79.0 1.0 S1 A:SF41202 2.3 81.2 1.0 SG A:CYS748 2.3 93.0 1.0 FE1 A:SF41202 2.7 82.3 1.0 FE2 A:SF41202 2.7 78.4 1.0 FE3 A:SF41202 2.7 86.6 1.0 CB A:CYS748 3.4 90.6 1.0 CG A:PRO679 3.8 92.3 1.0 S4 A:SF41202 3.9 75.2 1.0 N A:CYS748 4.0 89.5 1.0 CD A:PRO679 4.1 91.9 1.0 CA A:CYS748 4.3 90.0 1.0 CG2 A:ILE701 4.4 86.4 1.0 CB A:PRO679 4.7 95.2 1.0 SG A:CYS745 4.7 92.8 1.0 SG A:CYS742 4.7 89.8 1.0 SG A:CYS696 4.7 82.4 1.0 CE A:MET761 4.7 93.6 1.0 N A:ASN747 4.8 86.5 1.0 N A:GLY746 4.8 86.7 1.0 CB A:ILE701 4.9 86.2 1.0

Iron binding site 9 out of 72 in the Crystal Structure of Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica


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 Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1203 b:0.9 occ:1.00 FE1 A:SF41203 0.0 0.9 1.0 SG A:CYS809 2.3 0.6 1.0 S3 A:SF41203 2.3 91.4 1.0 S4 A:SF41203 2.3 73.8 1.0 S2 A:SF41203 2.3 0.1 1.0 FE2 A:SF41203 2.7 72.7 1.0 FE3 A:SF41203 2.7 0.5 1.0 FE4 A:SF41203 2.7 85.3 1.0 CB A:CYS809 3.1 99.0 1.0 N A:CYS809 3.7 85.1 1.0 S1 A:SF41203 3.9 70.8 1.0 CD A:LYS456 3.9 0.8 1.0 CA A:CYS809 4.0 90.3 1.0 CD1 A:ILE1076 4.2 97.8 1.0 CG1 A:ILE1076 4.3 99.5 1.0 CE A:LYS456 4.7 0.4 1.0 SG A:CYS812 4.7 71.0 1.0 SG A:CYS1075 4.7 0.8 1.0 CG2 A:ILE1076 4.7 0.1 1.0 C A:ALA808 4.8 80.8 1.0 SG A:CYS837 4.8 63.0 1.0 CB A:CYS812 4.9 69.4 1.0

Iron binding site 10 out of 72 in the Crystal Structure of Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica


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 Pyruvate:Ferredoxin Oxidoreductase From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1203 b:72.7 occ:1.00 FE2 A:SF41203 0.0 72.7 1.0 S3 A:SF41203 2.3 91.4 1.0 S4 A:SF41203 2.3 73.8 1.0 SG A:CYS812 2.3 71.0 1.0 S1 A:SF41203 2.3 70.8 1.0 FE1 A:SF41203 2.7 0.9 1.0 FE3 A:SF41203 2.7 0.5 1.0 FE4 A:SF41203 2.7 85.3 1.0 CB A:CYS812 3.2 69.4 1.0 S2 A:SF41203 3.9 0.1 1.0 CA A:CYS812 4.0 71.2 1.0 CB A:ALA808 4.5 72.6 1.0 N A:CYS809 4.5 85.1 1.0 N A:GLY813 4.6 72.1 1.0 OE1 A:GLU814 4.7 74.8 1.0 CG A:GLU814 4.7 75.2 1.0 CD A:GLU814 4.7 76.0 1.0 C A:CYS812 4.7 73.4 1.0 SG A:CYS809 4.7 0.6 1.0 CB A:CYS809 4.8 99.0 1.0 CB A:GLU814 4.8 73.7 1.0 NE1 A:TRP841 4.8 64.6 1.0 SG A:CYS837 4.8 63.0 1.0 CD1 A:TRP841 4.9 65.9 1.0 SG A:CYS1075 4.9 0.8 1.0 N A:GLU814 5.0 77.8 1.0

P.Y.Chen, H.Aman, M.Can, S.W.Ragsdale, C.L.Drennan. Binding Site For Coenzyme A Revealed in the Structure of Pyruvate:Ferredoxin Oxidoreductase Frommoorella Thermoacetica. Proc. Natl. Acad. Sci. V. 115 3846 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29581263
DOI: 10.1073/PNAS.1722329115