Iron in PDB 8bew: Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State

All present enzymatic activity of Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State:
1.12.1.3;

The structure of Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State also contains other interesting chemical elements:

Zinc

(Zn)

2 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 - 68;

Binding sites:

The binding sites of Iron atom in the Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State (pdb code 8bew). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 68 binding sites of Iron where determined in the Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State, PDB code: 8bew:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 68 in the Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:43.0 occ:1.00 FE1 A:SF4601 0.0 43.0 1.0 SG A:CYS299 2.3 24.0 1.0 S3 A:SF4601 2.3 43.0 1.0 S4 A:SF4601 2.3 43.0 1.0 S2 A:SF4601 2.3 43.0 1.0 FE4 A:SF4601 2.7 43.0 1.0 FE2 A:SF4601 2.7 43.0 1.0 FE3 A:SF4601 2.7 43.0 1.0 CB A:CYS299 3.6 24.0 1.0 S1 A:SF4601 3.9 43.0 1.0 CA A:CYS299 4.2 24.0 1.0 N A:ALA495 4.3 19.7 1.0 SG A:CYS354 4.7 18.6 1.0 SG A:CYS500 4.7 24.9 1.0 CD A:PRO300 4.7 21.4 1.0 N A:CYS496 4.7 19.2 1.0 CB A:ALA495 4.8 19.7 1.0 SG A:CYS496 4.8 19.2 1.0 C A:CYS299 4.8 24.0 1.0 CB A:SER301 4.8 21.7 1.0 N A:PRO300 4.9 21.4 1.0 N A:SER301 5.0 21.7 1.0

Iron binding site 2 out of 68 in the Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:43.0 occ:1.00 FE2 A:SF4601 0.0 43.0 1.0 SG A:CYS354 2.3 18.6 1.0 S1 A:SF4601 2.3 43.0 1.0 S4 A:SF4601 2.3 43.0 1.0 S3 A:SF4601 2.3 43.0 1.0 CB A:CYS354 2.7 18.6 1.0 FE3 A:SF4601 2.7 43.0 1.0 FE1 A:SF4601 2.7 43.0 1.0 FE4 A:SF4601 2.7 43.0 1.0 CA A:CYS354 3.8 18.6 1.0 S2 A:SF4601 3.9 43.0 1.0 SG A:CYS496 4.6 19.2 1.0 SG A:CYS299 4.7 24.0 1.0 N A:ILE355 4.7 16.5 1.0 N A:CYS354 4.7 18.6 1.0 C A:CYS354 4.8 18.6 1.0 SG A:CYS500 4.8 24.9 1.0 CD A:PRO300 5.0 21.4 1.0

Iron binding site 3 out of 68 in the Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:43.0 occ:1.00 FE3 A:SF4601 0.0 43.0 1.0 SG A:CYS496 2.3 19.2 1.0 S4 A:SF4601 2.3 43.0 1.0 S1 A:SF4601 2.3 43.0 1.0 S2 A:SF4601 2.3 43.0 1.0 FE2 A:SF4601 2.7 43.0 1.0 FE1 A:SF4601 2.7 43.0 1.0 FE4 A:SF4601 2.7 43.0 1.0 CB A:CYS496 3.1 19.2 1.0 N A:CYS496 3.8 19.2 1.0 S3 A:SF4601 3.9 43.0 1.0 CA A:CYS496 4.0 19.2 1.0 SG A:CYS354 4.6 18.6 1.0 CA A:GLY503 4.7 16.8 1.0 O A:CYS192 4.8 15.2 1.0 SG A:CYS299 4.8 24.0 1.0 SG A:CYS500 4.8 24.9 1.0 C A:ALA495 4.9 19.7 1.0 CA A:CYS500 4.9 24.9 1.0

Iron binding site 4 out of 68 in the Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:43.0 occ:1.00 FE4 A:SF4601 0.0 43.0 1.0 SG A:CYS500 2.3 24.9 1.0 S2 A:SF4601 2.3 43.0 1.0 S3 A:SF4601 2.3 43.0 1.0 S1 A:SF4601 2.3 43.0 1.0 FE1 A:SF4601 2.7 43.0 1.0 FE2 A:SF4601 2.7 43.0 1.0 FE3 A:SF4601 2.7 43.0 1.0 CB A:CYS500 3.5 24.9 1.0 CA A:CYS500 3.7 24.9 1.0 S4 A:SF4601 3.9 43.0 1.0 N A:CYS500 4.2 24.9 1.0 CB A:CYS354 4.6 18.6 1.0 SG A:CYS299 4.8 24.0 1.0 SG A:CYS496 4.8 19.2 1.0 SG A:CYS354 4.9 18.6 1.0 C A:GLY499 4.9 22.9 1.0 CE A:MET494 5.0 20.9 1.0 C A:CYS500 5.0 24.9 1.0

Iron binding site 5 out of 68 in the Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:43.0 occ:1.00 FE1 A:FES602 0.0 43.0 1.0 S1 A:FES602 2.2 43.0 1.0 S2 A:FES602 2.2 43.0 1.0 SG A:CYS50 2.3 21.1 1.0 SG A:CYS63 2.3 19.1 1.0 FE2 A:FES602 2.7 43.0 1.0 CB A:CYS63 2.8 19.1 1.0 CB A:CYS50 3.6 21.1 1.0 SG A:CYS36 3.8 18.8 1.0 SG A:CYS47 4.1 28.2 1.0 CA A:CYS63 4.1 19.1 1.0 N A:CYS63 4.2 19.1 1.0 NZ A:LYS22 4.5 25.3 1.0 CB A:ASP37 4.6 27.2 1.0 CA A:CYS50 4.9 21.1 1.0 CD A:LYS22 4.9 25.3 1.0 N A:CYS50 5.0 21.1 1.0

Iron binding site 6 out of 68 in the Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:43.0 occ:1.00 FE2 A:FES602 0.0 43.0 1.0 S2 A:FES602 2.2 43.0 1.0 S1 A:FES602 2.2 43.0 1.0 SG A:CYS47 2.3 28.2 1.0 SG A:CYS36 2.3 18.8 1.0 FE1 A:FES602 2.7 43.0 1.0 N A:CYS47 3.5 28.2 1.0 CB A:CYS47 3.6 28.2 1.0 N A:ARG48 3.6 43.0 1.0 SG A:CYS50 3.7 21.1 1.0 CB A:CYS36 3.8 18.8 1.0 CA A:GLY45 3.8 19.4 1.0 N A:ALA46 3.9 19.1 1.0 SG A:CYS63 3.9 19.1 1.0 CA A:CYS47 4.0 28.2 1.0 C A:GLY45 4.1 19.4 1.0 N A:GLY45 4.2 19.4 1.0 C A:CYS47 4.3 28.2 1.0 N A:CYS36 4.5 18.8 1.0 CA A:ARG48 4.5 43.0 1.0 C A:ALA46 4.6 19.1 1.0 CA A:CYS36 4.6 18.8 1.0 N A:LEU49 4.7 18.8 1.0 CA A:ALA46 4.8 19.1 1.0 CB A:CYS50 5.0 21.1 1.0 O A:GLY45 5.0 19.4 1.0

Iron binding site 7 out of 68 in the Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:43.0 occ:1.00 FE1 A:SF4603 0.0 43.0 1.0 NE2 A:HIS95 2.0 43.0 1.0 S3 A:SF4603 2.3 43.0 1.0 S4 A:SF4603 2.3 43.0 1.0 S2 A:SF4603 2.3 43.0 1.0 FE3 A:SF4603 2.7 43.0 1.0 FE4 A:SF4603 2.7 43.0 1.0 FE2 A:SF4603 2.7 43.0 1.0 CD2 A:HIS95 2.9 43.0 1.0 CE1 A:HIS95 3.1 43.0 1.0 S1 A:SF4603 3.9 43.0 1.0 CG A:HIS95 4.1 43.0 1.0 ND1 A:HIS95 4.1 43.0 1.0 SG A:CYS108 4.5 18.8 1.0 SG A:CYS99 4.6 30.4 1.0 CE1 D:PHE100 4.7 18.1 1.0 CD2 A:LEU110 4.8 13.6 1.0 SG A:CYS102 4.8 20.2 1.0 CZ D:PHE100 4.8 18.1 1.0 O A:ASN96 4.9 29.8 1.0 CG A:LYS145 5.0 43.0 1.0 CB A:LYS145 5.0 43.0 1.0

Iron binding site 8 out of 68 in the Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:43.0 occ:1.00 FE2 A:SF4603 0.0 43.0 1.0 SG A:CYS102 2.3 20.2 1.0 S3 A:SF4603 2.3 43.0 1.0 S4 A:SF4603 2.3 43.0 1.0 S1 A:SF4603 2.3 43.0 1.0 FE4 A:SF4603 2.7 43.0 1.0 FE3 A:SF4603 2.7 43.0 1.0 FE1 A:SF4603 2.7 43.0 1.0 CB A:CYS102 3.0 20.2 1.0 S2 A:SF4603 3.9 43.0 1.0 CA A:CYS102 4.5 20.2 1.0 NE2 A:HIS95 4.5 43.0 1.0 CD A:LYS145 4.6 43.0 1.0 N A:GLY202 4.6 21.3 1.0 SG A:CYS108 4.6 18.8 1.0 CA A:GLY202 4.7 21.3 1.0 SG A:CYS99 4.7 30.4 1.0 CE A:LYS145 4.8 43.0 1.0 NZ A:LYS145 4.9 43.0 1.0 CB A:CYS108 4.9 18.8 1.0

Iron binding site 9 out of 68 in the Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:43.0 occ:1.00 FE3 A:SF4603 0.0 43.0 1.0 SG A:CYS99 2.3 30.4 1.0 S2 A:SF4603 2.3 43.0 1.0 S4 A:SF4603 2.3 43.0 1.0 S1 A:SF4603 2.3 43.0 1.0 FE1 A:SF4603 2.7 43.0 1.0 FE2 A:SF4603 2.7 43.0 1.0 FE4 A:SF4603 2.7 43.0 1.0 CB A:CYS99 3.6 30.4 1.0 S3 A:SF4603 3.9 43.0 1.0 CA A:CYS99 4.0 30.4 1.0 CE1 D:PHE100 4.2 18.1 1.0 NE2 A:HIS95 4.6 43.0 1.0 N A:CYS99 4.7 30.4 1.0 CB A:CYS102 4.7 20.2 1.0 NE2 A:GLN111 4.8 43.0 1.0 SG A:CYS102 4.8 20.2 1.0 CB A:GLN111 4.8 43.0 1.0 CZ D:PHE100 4.9 18.1 1.0 CD2 A:HIS95 4.9 43.0 1.0 SG A:CYS108 5.0 18.8 1.0

Iron binding site 10 out of 68 in the Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Cryo-Em Structure of the Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex From Thermoanaerobacter Kivui in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:43.0 occ:1.00 FE4 A:SF4603 0.0 43.0 1.0 SG A:CYS108 2.3 18.8 1.0 S3 A:SF4603 2.3 43.0 1.0 S2 A:SF4603 2.3 43.0 1.0 S1 A:SF4603 2.3 43.0 1.0 FE2 A:SF4603 2.7 43.0 1.0 FE1 A:SF4603 2.7 43.0 1.0 FE3 A:SF4603 2.7 43.0 1.0 CB A:CYS108 2.9 18.8 1.0 S4 A:SF4603 3.9 43.0 1.0 CB A:GLN111 4.2 43.0 1.0 CA A:CYS108 4.4 18.8 1.0 N A:GLN111 4.4 43.0 1.0 NE2 A:HIS95 4.6 43.0 1.0 SG A:CYS102 4.7 20.2 1.0 CB A:LEU110 4.9 13.6 1.0 CA A:GLN111 4.9 43.0 1.0 SG A:CYS99 4.9 30.4 1.0 N A:GLY202 4.9 21.3 1.0 CD2 A:LEU110 5.0 13.6 1.0

A.Kumar, J.M.Schuller. Molecular Basis of the Electron Bifurcation Mechanism in the [Fefe]-Hydrogenase Complex Hydabc J.Am.Chem.Soc. 2023.
ISSN: ESSN 1520-5126
DOI: 10.1021/JACS.2C11683