Iron in PDB 7q4w: Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii in the Oxidised State

All present enzymatic activity of Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii in the Oxidised State:
1.12.7.2;

The structure of Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii 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 - 64;

Binding sites:

The binding sites of Iron atom in the Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii in the Oxidised State (pdb code 7q4w). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 64 binding sites of Iron where determined in the Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii in the Oxidised State, PDB code: 7q4w:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 64 in the Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii 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 Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:50.8 occ:1.00 FE1 A:SF4601 0.0 50.8 1.0 SG A:CYS356 2.3 55.5 1.0 S4 A:SF4601 2.3 50.8 1.0 S2 A:SF4601 2.3 50.8 1.0 S3 A:SF4601 2.3 50.8 1.0 FE4 A:SF4601 2.7 50.8 1.0 FE2 A:SF4601 2.7 50.8 1.0 FE3 A:SF4601 2.7 50.8 1.0 OG A:SER301 2.8 70.9 1.0 CB A:SER301 3.5 70.9 1.0 CB A:CYS356 3.8 55.5 1.0 S1 A:SF4601 3.9 50.8 1.0 CA A:SER301 4.3 70.9 1.0 SG A:CYS502 4.5 56.2 1.0 SG A:CYS506 4.6 64.1 1.0 CD A:PRO302 4.7 73.2 1.0 CG A:MET500 4.7 68.7 1.0 CA A:CYS356 4.8 55.5 1.0 SD A:MET500 4.8 68.7 1.0 CB A:MET500 4.9 68.7 1.0

Iron binding site 2 out of 64 in the Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii 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 Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:50.8 occ:1.00 FE2 A:SF4601 0.0 50.8 1.0 S4 A:SF4601 2.3 50.8 1.0 S1 A:SF4601 2.3 50.8 1.0 S3 A:SF4601 2.3 50.8 1.0 CG A:MET500 2.3 68.7 1.0 SD A:MET500 2.3 68.7 1.0 CB A:MET500 2.5 68.7 1.0 FE3 A:SF4601 2.7 50.8 1.0 FE1 A:SF4601 2.7 50.8 1.0 FE4 A:SF4601 2.7 50.8 1.0 OG A:SER301 3.6 70.9 1.0 CB A:SER301 3.6 70.9 1.0 CE A:MET500 3.6 68.7 1.0 CA A:MET500 3.8 68.7 1.0 S2 A:SF4601 3.9 50.8 1.0 SG A:CYS506 4.0 64.1 1.0 C A:MET500 4.4 68.7 1.0 N A:ALA501 4.6 58.4 1.0 CB A:CYS502 4.6 56.2 1.0 N A:CYS502 4.7 56.2 1.0 SG A:CYS356 4.7 55.5 1.0 O A:CYS502 4.8 56.2 1.0 N A:MET500 4.9 68.7 1.0 SG A:CYS502 4.9 56.2 1.0 CA A:SER301 4.9 70.9 1.0

Iron binding site 3 out of 64 in the Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii 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 Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:50.8 occ:1.00 FE3 A:SF4601 0.0 50.8 1.0 SG A:CYS506 2.2 64.1 1.0 S4 A:SF4601 2.3 50.8 1.0 S1 A:SF4601 2.3 50.8 1.0 S2 A:SF4601 2.3 50.8 1.0 FE2 A:SF4601 2.7 50.8 1.0 FE4 A:SF4601 2.7 50.8 1.0 FE1 A:SF4601 2.7 50.8 1.0 CB A:CYS506 3.0 64.1 1.0 CA A:CYS506 3.2 64.1 1.0 SG A:CYS356 3.4 55.5 1.0 N A:CYS506 3.7 64.1 1.0 SD A:MET500 3.8 68.7 1.0 S3 A:SF4601 3.9 50.8 1.0 C A:GLY505 4.4 60.6 1.0 C A:CYS506 4.6 64.1 1.0 CB A:CYS502 4.7 56.2 1.0 SG A:CYS502 4.7 56.2 1.0 CG A:MET500 4.8 68.7 1.0 O A:CYS506 4.9 64.1 1.0 O A:GLY505 4.9 60.6 1.0 CE A:MET500 5.0 68.7 1.0

Iron binding site 4 out of 64 in the Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii 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 Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:50.8 occ:1.00 FE4 A:SF4601 0.0 50.8 1.0 SG A:CYS502 2.3 56.2 1.0 S3 A:SF4601 2.3 50.8 1.0 S2 A:SF4601 2.3 50.8 1.0 S1 A:SF4601 2.3 50.8 1.0 CB A:CYS502 2.5 56.2 1.0 FE1 A:SF4601 2.7 50.8 1.0 FE3 A:SF4601 2.7 50.8 1.0 FE2 A:SF4601 2.7 50.8 1.0 N A:CYS502 3.5 56.2 1.0 CA A:CYS502 3.5 56.2 1.0 S4 A:SF4601 3.9 50.8 1.0 SG A:CYS356 4.0 55.5 1.0 O A:CYS502 4.3 56.2 1.0 CB A:MET500 4.4 68.7 1.0 C A:CYS502 4.4 56.2 1.0 OG A:SER301 4.6 70.9 1.0 C A:ALA501 4.8 58.4 1.0 SD A:MET500 4.8 68.7 1.0 CG A:MET500 4.9 68.7 1.0 SG A:CYS506 4.9 64.1 1.0 CA A:GLY509 5.0 60.3 1.0 N A:ALA501 5.0 58.4 1.0 CA A:CYS506 5.0 64.1 1.0

Iron binding site 5 out of 64 in the Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii 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 Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:81.4 occ:1.00 FE1 A:SF4602 0.0 81.4 1.0 S3 A:SF4602 2.3 81.4 1.0 SG A:CYS191 2.3 58.8 1.0 S4 A:SF4602 2.3 81.4 1.0 S2 A:SF4602 2.3 81.4 1.0 FE4 A:SF4602 2.7 81.4 1.0 FE2 A:SF4602 2.7 81.4 1.0 FE3 A:SF4602 2.7 81.4 1.0 CB A:CYS191 3.3 58.8 1.0 S1 A:SF4602 3.9 81.4 1.0 CA A:CYS191 3.9 58.8 1.0 N A:ILE192 4.0 56.0 1.0 N A:ASN193 4.4 55.1 1.0 C A:CYS191 4.4 58.8 1.0 CG2 A:VAL166 4.5 56.5 1.0 SG A:CYS194 4.6 57.0 1.0 N A:CYS194 4.6 57.0 1.0 SG A:CYS197 4.7 46.2 1.0 SG A:CYS158 4.8 53.7 1.0 CA A:ASN193 4.9 55.1 1.0 CG2 A:ILE192 5.0 56.0 1.0

Iron binding site 6 out of 64 in the Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii 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 Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:81.4 occ:1.00 FE2 A:SF4602 0.0 81.4 1.0 SG A:CYS197 2.3 46.2 1.0 S4 A:SF4602 2.3 81.4 1.0 S3 A:SF4602 2.3 81.4 1.0 S1 A:SF4602 2.3 81.4 1.0 FE3 A:SF4602 2.7 81.4 1.0 FE1 A:SF4602 2.7 81.4 1.0 FE4 A:SF4602 2.7 81.4 1.0 CB A:CYS197 3.0 46.2 1.0 SG A:CYS194 3.1 57.0 1.0 S2 A:SF4602 3.9 81.4 1.0 N A:CYS197 4.1 46.2 1.0 CA A:CYS197 4.1 46.2 1.0 CB A:CYS194 4.5 57.0 1.0 SG A:CYS191 4.7 58.8 1.0 N A:GLY195 4.7 50.8 1.0 N A:CYS194 4.8 57.0 1.0 SG A:CYS158 4.8 53.7 1.0

Iron binding site 7 out of 64 in the Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii 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 Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:81.4 occ:1.00 FE3 A:SF4602 0.0 81.4 1.0 SG A:CYS158 2.3 53.7 1.0 S1 A:SF4602 2.3 81.4 1.0 S2 A:SF4602 2.3 81.4 1.0 S4 A:SF4602 2.3 81.4 1.0 FE2 A:SF4602 2.7 81.4 1.0 FE4 A:SF4602 2.7 81.4 1.0 FE1 A:SF4602 2.7 81.4 1.0 CB A:CYS158 3.2 53.7 1.0 S3 A:SF4602 3.9 81.4 1.0 SG A:CYS194 4.1 57.0 1.0 CA A:CYS158 4.2 53.7 1.0 CG2 A:VAL166 4.2 56.5 1.0 CB A:CYS197 4.7 46.2 1.0 SG A:CYS197 4.8 46.2 1.0 SG A:CYS191 4.9 58.8 1.0 O A:CYS158 5.0 53.7 1.0 CG1 A:VAL164 5.0 56.2 1.0

Iron binding site 8 out of 64 in the Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii 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 Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:81.4 occ:1.00 FE4 A:SF4602 0.0 81.4 1.0 SG A:CYS194 2.2 57.0 1.0 S3 A:SF4602 2.3 81.4 1.0 S1 A:SF4602 2.3 81.4 1.0 S2 A:SF4602 2.3 81.4 1.0 CB A:CYS194 2.6 57.0 1.0 FE1 A:SF4602 2.7 81.4 1.0 FE2 A:SF4602 2.7 81.4 1.0 FE3 A:SF4602 2.7 81.4 1.0 N A:CYS194 3.1 57.0 1.0 CA A:CYS194 3.4 57.0 1.0 CG2 A:ILE192 3.5 56.0 1.0 S4 A:SF4602 3.9 81.4 1.0 C A:ASN193 4.3 55.1 1.0 SG A:CYS191 4.3 58.8 1.0 N A:ASN193 4.3 55.1 1.0 N A:GLY195 4.4 50.8 1.0 C A:CYS194 4.4 57.0 1.0 N A:ILE192 4.4 56.0 1.0 CA A:ASN193 4.7 55.1 1.0 SG A:CYS158 4.7 53.7 1.0 CB A:ILE192 4.7 56.0 1.0 SG A:CYS197 4.8 46.2 1.0 C A:ILE192 4.8 56.0 1.0 CG A:GLN162 4.9 55.5 1.0 CA A:ILE192 4.9 56.0 1.0 NE2 A:GLN162 4.9 55.5 1.0

Iron binding site 9 out of 64 in the Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii 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 Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:81.4 occ:1.00 FE1 A:SF4603 0.0 81.4 1.0 SG A:CYS151 2.2 45.7 1.0 S3 A:SF4603 2.3 81.4 1.0 S2 A:SF4603 2.3 81.4 1.0 S4 A:SF4603 2.3 81.4 1.0 FE4 A:SF4603 2.7 81.4 1.0 FE2 A:SF4603 2.7 81.4 1.0 FE3 A:SF4603 2.7 81.4 1.0 N A:CYS151 2.8 45.7 1.0 CB A:CYS151 3.2 45.7 1.0 CA A:CYS151 3.4 45.7 1.0 N A:LYS152 3.4 41.4 1.0 SG A:CYS148 3.7 49.4 1.0 C A:LEU150 3.8 42.6 1.0 C A:CYS151 3.8 45.7 1.0 S1 A:SF4603 3.9 81.4 1.0 N A:LEU150 4.0 42.6 1.0 CA A:LEU150 4.0 42.6 1.0 CA A:LYS152 4.5 41.4 1.0 N A:ILE149 4.5 36.4 1.0 N A:ARG153 4.6 42.4 1.0 SG A:CYS154 4.6 46.2 1.0 C A:ILE149 4.7 36.4 1.0 O A:LEU150 4.9 42.6 1.0 SG A:CYS201 4.9 42.4 1.0 O A:CYS151 5.0 45.7 1.0 C A:LYS152 5.0 41.4 1.0

Iron binding site 10 out of 64 in the Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii 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 Cryoem Structure of Electron Bifurcating Fe-Fe Hydrogenase Hydabc Complex A. Woodii in the Oxidised State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:81.4 occ:1.00 FE2 A:SF4603 0.0 81.4 1.0 SG A:CYS201 2.2 42.4 1.0 S4 A:SF4603 2.3 81.4 1.0 S1 A:SF4603 2.3 81.4 1.0 S3 A:SF4603 2.3 81.4 1.0 FE4 A:SF4603 2.7 81.4 1.0 FE1 A:SF4603 2.7 81.4 1.0 FE3 A:SF4603 2.7 81.4 1.0 SG A:CYS151 3.1 45.7 1.0 CB A:CYS201 3.5 42.4 1.0 S2 A:SF4603 3.9 81.4 1.0 CA A:CYS201 4.1 42.4 1.0 CD A:PRO202 4.1 36.6 1.0 CB A:CYS151 4.6 45.7 1.0 CB A:CYS154 4.7 46.2 1.0 N A:PRO202 4.7 36.6 1.0 SG A:CYS154 4.7 46.2 1.0 C A:CYS201 4.8 42.4 1.0 CB A:ALA205 4.8 53.1 1.0 SG A:CYS148 4.9 49.4 1.0

A.Katsyv, A.Kumar, P.Saura, M.C.Poeverlein, S.A.Freibert, S.Stripp, S.Jain, A.P.Gamiz-Hernandez, V.R.I.Kaila, V.Mueller, 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