Iron in PDB 6yf4: [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D

All present enzymatic activity of [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D:
1.12.7.2;

The structure of [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D, PDB code: 6yf4 was solved by J.Duan, E.Hofmann, T.Happe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.48 / 1.77
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	89.810, 72.020, 102.930, 90.00, 97.48, 90.00
R / Rfree (%)	20 / 23.4

The structure of [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40;

Binding sites:

The binding sites of Iron atom in the [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D (pdb code 6yf4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 40 binding sites of Iron where determined in the [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D, PDB code: 6yf4:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 40 in the [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:26.4 occ:1.00 FE1 A:402601 0.0 26.4 1.0 C3 A:402601 1.7 19.5 1.0 C4 A:402601 1.8 26.9 1.0 C5 A:402601 1.9 26.8 1.0 S1 A:402601 2.3 31.1 1.0 S2 A:402601 2.3 25.8 1.0 SG A:CYS503 2.3 25.8 1.0 FE2 A:402601 2.6 31.5 1.0 O3 A:402601 3.0 32.6 1.0 N4 A:402601 3.0 28.4 1.0 O5 A:402601 3.1 29.6 1.0 HB3 A:CYS503 3.2 26.8 1.0 CB A:CYS503 3.2 22.4 1.0 HB2 A:CYS503 3.4 26.8 1.0 C1 A:402601 3.4 27.7 1.0 C2 A:402601 3.5 30.5 1.0 C7 A:402601 3.8 39.8 1.0 C6 A:402601 3.8 34.4 1.0 HD2 A:PRO231 3.9 27.8 1.0 FE4 A:SF4602 4.0 22.7 1.0 N1 A:402601 4.0 29.1 1.0 HE3 A:LYS358 4.0 30.9 1.0 HB1 A:ALA230 4.1 29.5 1.0 S2 A:SF4602 4.3 22.3 1.0 HA2 A:GLY418 4.3 34.4 1.0 HD2 A:PRO354 4.3 32.6 1.0 HG2 A:PRO354 4.4 29.7 1.0 HG3 A:PRO354 4.6 29.7 1.0 HE2 A:LYS358 4.6 30.9 1.0 CA A:CYS503 4.7 26.4 1.0 HG2 A:PRO231 4.7 30.4 1.0 N6 A:402601 4.7 20.6 1.0 CE A:LYS358 4.8 25.7 1.0 CG A:PRO354 4.8 24.8 1.0 CD A:PRO231 4.8 23.2 1.0 O7 A:402601 4.8 35.0 1.0 HA A:CYS503 4.9 31.7 1.0 CB A:ALA230 4.9 24.6 1.0 HB2 A:ALA230 4.9 29.5 1.0 CD A:PRO354 4.9 27.1 1.0 H A:CYS503 5.0 29.0 1.0 HG A:SER232 5.0 33.4 1.0

Iron binding site 2 out of 40 in the [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:31.5 occ:1.00 FE2 A:402601 0.0 31.5 1.0 C7 A:402601 1.8 39.8 1.0 C6 A:402601 1.9 34.4 1.0 C5 A:402601 2.0 26.8 1.0 S2 A:402601 2.3 25.8 1.0 S1 A:402601 2.3 31.1 1.0 FE1 A:402601 2.6 26.4 1.0 O5 A:402601 2.8 29.6 1.0 O7 A:402601 2.9 35.0 1.0 N6 A:402601 3.1 20.6 1.0 HG2 A:PRO324 3.1 32.9 1.0 N1 A:402601 3.3 29.1 1.0 C1 A:402601 3.4 27.7 1.0 C2 A:402601 3.4 30.5 1.0 C4 A:402601 3.6 26.9 1.0 HD2 A:PRO324 3.7 35.5 1.0 C3 A:402601 3.7 19.5 1.0 HB2 A:PRO324 3.7 31.6 1.0 HD2 A:PHE417 3.8 30.7 1.0 HE3 A:LYS358 3.9 30.9 1.0 CG A:PRO324 3.9 27.4 1.0 HD2 A:PRO231 3.9 27.8 1.0 HB3 A:PHE417 4.1 33.9 1.0 HZ3 A:LYS358 4.3 27.1 1.0 CD A:PRO324 4.3 29.6 1.0 CB A:PRO324 4.3 26.3 1.0 HG2 A:PRO231 4.3 30.4 1.0 HB2 A:CYS299 4.3 39.7 1.0 SG A:CYS503 4.5 25.8 1.0 HD3 A:PRO231 4.5 27.8 1.0 CD A:PRO231 4.6 23.2 1.0 HG21 A:ILE268 4.6 32.0 1.0 HG22 A:ILE268 4.6 32.0 1.0 N4 A:402601 4.6 28.4 1.0 HZ1 A:LYS358 4.6 27.1 1.0 CD2 A:PHE417 4.7 25.6 1.0 CE A:LYS358 4.7 25.7 1.0 HG3 A:PRO324 4.7 32.9 1.0 NZ A:LYS358 4.7 22.5 1.0 HB1 A:ALA230 4.8 29.5 1.0 O3 A:402601 4.8 32.6 1.0 HB3 A:PRO324 4.8 31.6 1.0 HD3 A:PRO324 4.9 35.5 1.0 HE2 A:LYS358 4.9 30.9 1.0 CG A:PRO231 4.9 25.4 1.0 H A:GLN325 4.9 26.9 1.0 CB A:PHE417 5.0 28.3 1.0

Iron binding site 3 out of 40 in the [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:23.6 occ:1.00 FE1 A:SF4602 0.0 23.6 1.0 SG A:CYS355 2.3 29.7 1.0 S2 A:SF4602 2.3 22.3 1.0 S3 A:SF4602 2.3 20.3 1.0 S4 A:SF4602 2.3 22.1 1.0 HB2 A:CYS355 2.7 37.0 1.0 FE4 A:SF4602 2.7 22.7 1.0 FE3 A:SF4602 2.7 24.4 1.0 FE2 A:SF4602 2.7 21.7 1.0 CB A:CYS355 3.0 30.8 1.0 HB3 A:CYS355 3.6 37.0 1.0 O A:HOH751 3.7 21.1 1.0 HB3 A:SER357 3.8 36.9 1.0 HD2 A:PRO301 3.9 35.3 1.0 S1 A:SF4602 3.9 20.6 1.0 O3 A:402601 4.0 32.6 1.0 HG2 A:LYS358 4.0 29.1 1.0 HG2 A:PRO301 4.1 33.7 1.0 HA A:CYS355 4.1 29.0 1.0 HE2 A:LYS358 4.2 30.9 1.0 CA A:CYS355 4.2 24.2 1.0 HB2 A:SER357 4.3 36.9 1.0 H A:SER357 4.3 29.5 1.0 H A:GLY302 4.4 26.8 1.0 CB A:SER357 4.5 30.7 1.0 C3 A:402601 4.6 19.5 1.0 H A:LYS358 4.6 30.1 1.0 CD A:PRO301 4.7 29.4 1.0 SG A:CYS503 4.7 25.8 1.0 SG A:CYS499 4.7 22.8 1.0 SG A:CYS300 4.8 22.9 1.0 CG A:PRO301 4.8 28.1 1.0 CG A:LYS358 4.9 24.2 1.0 HA A:CYS300 4.9 30.5 1.0 HA A:CYS503 4.9 31.7 1.0 H A:GLY507 5.0 25.5 1.0

Iron binding site 4 out of 40 in the [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:21.7 occ:1.00 FE2 A:SF4602 0.0 21.7 1.0 SG A:CYS499 2.3 22.8 1.0 S4 A:SF4602 2.3 22.1 1.0 S1 A:SF4602 2.3 20.6 1.0 S3 A:SF4602 2.3 20.3 1.0 FE3 A:SF4602 2.7 24.4 1.0 FE1 A:SF4602 2.7 23.6 1.0 FE4 A:SF4602 2.7 22.7 1.0 HB2 A:CYS499 2.9 19.1 1.0 CB A:CYS499 3.2 15.9 1.0 H A:CYS499 3.4 31.1 1.0 HA2 A:GLY506 3.6 25.6 1.0 HB3 A:ALA498 3.8 30.3 1.0 HA A:CYS503 3.8 31.7 1.0 N A:CYS499 3.8 25.9 1.0 HB3 A:CYS499 3.9 19.1 1.0 S2 A:SF4602 3.9 22.3 1.0 O A:HOH751 4.1 21.1 1.0 CA A:CYS499 4.1 20.8 1.0 H A:ALA498 4.4 25.1 1.0 H A:GLY507 4.4 25.5 1.0 CA A:GLY506 4.4 21.4 1.0 HA3 A:GLY506 4.5 25.6 1.0 HB2 A:CYS193 4.5 25.8 1.0 HB2 A:CYS355 4.5 37.0 1.0 SG A:CYS355 4.6 29.7 1.0 HA A:CYS499 4.7 25.0 1.0 CB A:ALA498 4.7 25.3 1.0 C A:ALA498 4.7 29.4 1.0 CA A:CYS503 4.7 26.4 1.0 SG A:CYS300 4.8 22.9 1.0 N A:ALA498 4.9 20.9 1.0 O A:GLY502 4.9 26.8 1.0 HE21 A:GLN195 4.9 29.7 1.0 SG A:CYS503 4.9 25.8 1.0 CA A:ALA498 5.0 22.6 1.0

Iron binding site 5 out of 40 in the [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:24.4 occ:1.00 FE3 A:SF4602 0.0 24.4 1.0 SG A:CYS300 2.3 22.9 1.0 S4 A:SF4602 2.3 22.1 1.0 S1 A:SF4602 2.3 20.6 1.0 S2 A:SF4602 2.3 22.3 1.0 FE2 A:SF4602 2.7 21.7 1.0 FE1 A:SF4602 2.7 23.6 1.0 FE4 A:SF4602 2.7 22.7 1.0 H A:ALA498 3.2 25.1 1.0 HB2 A:CYS300 3.3 28.9 1.0 HB3 A:ALA498 3.3 30.3 1.0 CB A:CYS300 3.3 24.1 1.0 HA A:CYS300 3.5 30.5 1.0 H A:GLY302 3.6 26.8 1.0 HD2 A:PRO301 3.8 35.3 1.0 S3 A:SF4602 3.9 20.3 1.0 CA A:CYS300 3.9 25.4 1.0 N A:ALA498 4.0 20.9 1.0 H A:CYS499 4.0 31.1 1.0 CB A:ALA498 4.1 25.3 1.0 HB3 A:CYS300 4.2 28.9 1.0 HB2 A:ALA498 4.3 30.3 1.0 HA3 A:GLY302 4.3 28.2 1.0 HA A:MET497 4.3 37.9 1.0 C A:CYS300 4.4 26.1 1.0 N A:GLY302 4.4 22.4 1.0 H A:TRP303 4.4 31.9 1.0 CD A:PRO301 4.6 29.4 1.0 N A:PRO301 4.6 23.4 1.0 HB3 A:MET497 4.6 32.5 1.0 CA A:ALA498 4.6 22.6 1.0 SG A:CYS499 4.7 22.8 1.0 N A:CYS499 4.7 25.9 1.0 SG A:CYS503 4.7 25.8 1.0 SD A:MET497 4.8 30.5 1.0 HG2 A:PRO301 4.8 33.7 1.0 SG A:CYS355 4.9 29.7 1.0 CA A:GLY302 4.9 23.5 1.0 HB2 A:CYS499 4.9 19.1 1.0 HB1 A:ALA498 4.9 30.3 1.0 C A:MET497 5.0 25.1 1.0 CA A:MET497 5.0 31.6 1.0

Iron binding site 6 out of 40 in the [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:22.7 occ:1.00 FE4 A:SF4602 0.0 22.7 1.0 SG A:CYS503 2.3 25.8 1.0 S3 A:SF4602 2.3 20.3 1.0 S2 A:SF4602 2.3 22.3 1.0 S1 A:SF4602 2.3 20.6 1.0 FE1 A:SF4602 2.7 23.6 1.0 FE3 A:SF4602 2.7 24.4 1.0 FE2 A:SF4602 2.7 21.7 1.0 HA A:CYS503 2.8 31.7 1.0 CB A:CYS503 3.3 22.4 1.0 CA A:CYS503 3.4 26.4 1.0 HB3 A:CYS503 3.5 26.8 1.0 C3 A:402601 3.8 19.5 1.0 O3 A:402601 3.9 32.6 1.0 S4 A:SF4602 3.9 22.1 1.0 N A:CYS503 4.0 24.2 1.0 HB2 A:CYS355 4.0 37.0 1.0 FE1 A:402601 4.0 26.4 1.0 H A:CYS503 4.1 29.0 1.0 HB2 A:CYS503 4.1 26.8 1.0 S2 A:402601 4.2 25.8 1.0 C2 A:402601 4.4 30.5 1.0 HB2 A:CYS499 4.4 19.1 1.0 HG2 A:PRO354 4.6 29.7 1.0 C A:GLY502 4.6 25.7 1.0 HB2 A:CYS300 4.7 28.9 1.0 SD A:MET497 4.7 30.5 1.0 C A:CYS503 4.8 21.7 1.0 CB A:CYS355 4.8 30.8 1.0 SG A:CYS300 4.8 22.9 1.0 SG A:CYS355 4.8 29.7 1.0 HA A:CYS300 4.9 30.5 1.0 SG A:CYS499 4.9 22.8 1.0 H A:CYS499 4.9 31.1 1.0 O A:GLY502 4.9 26.8 1.0 HA2 A:GLY506 4.9 25.6 1.0 HD2 A:PRO301 4.9 35.3 1.0 HB3 A:MET497 5.0 32.5 1.0 C4 A:402601 5.0 26.9 1.0

Iron binding site 7 out of 40 in the [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:24.5 occ:1.00 FE1 A:SF4603 0.0 24.5 1.0 S4 A:SF4603 2.3 28.1 1.0 S2 A:SF4603 2.3 25.4 1.0 S3 A:SF4603 2.3 29.2 1.0 SG A:CYS193 2.4 24.4 1.0 H A:CYS193 2.7 29.6 1.0 FE2 A:SF4603 2.7 22.6 1.0 FE4 A:SF4603 2.7 23.7 1.0 FE3 A:SF4603 2.7 24.3 1.0 HG21 A:THR161 3.2 27.6 1.0 H A:GLY194 3.4 34.3 1.0 N A:CYS193 3.4 24.7 1.0 CB A:CYS193 3.6 21.5 1.0 H A:GLN195 3.6 33.3 1.0 HB3 A:CYS193 3.8 25.8 1.0 HB2 A:LEU191 3.8 28.9 1.0 N A:GLY194 3.9 28.6 1.0 S1 A:SF4603 3.9 28.9 1.0 H A:LEU191 3.9 26.9 1.0 CA A:CYS193 3.9 22.2 1.0 H A:LEU192 3.9 26.3 1.0 HB2 A:GLN195 4.0 35.9 1.0 CG2 A:THR161 4.1 23.0 1.0 HG23 A:THR161 4.1 27.6 1.0 H A:CYS196 4.2 27.8 1.0 N A:LEU192 4.3 21.9 1.0 C A:CYS193 4.3 27.3 1.0 N A:GLN195 4.4 27.8 1.0 C A:LEU192 4.4 26.7 1.0 HB2 A:CYS193 4.4 25.8 1.0 HA A:LEU192 4.5 30.5 1.0 HG22 A:THR161 4.5 27.6 1.0 N A:LEU191 4.6 22.4 1.0 SG A:CYS190 4.6 28.2 1.0 CA A:LEU192 4.7 25.4 1.0 CB A:LEU191 4.7 24.1 1.0 SG A:CYS196 4.7 23.9 1.0 HG A:LEU191 4.8 24.8 1.0 SG A:CYS157 4.8 23.3 1.0 C A:LEU191 4.8 26.3 1.0 HA A:CYS157 4.8 22.8 1.0 HA A:CYS193 4.9 26.6 1.0 CA A:GLY194 4.9 24.8 1.0 HD12 A:LEU191 4.9 28.1 1.0 CB A:GLN195 4.9 29.9 1.0 HG2 A:GLN195 4.9 35.7 1.0 CA A:LEU191 5.0 25.3 1.0 HB2 A:CYS157 5.0 26.7 1.0

Iron binding site 8 out of 40 in the [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:22.6 occ:1.00 FE2 A:SF4603 0.0 22.6 1.0 SG A:CYS157 2.3 23.3 1.0 S4 A:SF4603 2.3 28.1 1.0 S3 A:SF4603 2.3 29.2 1.0 S1 A:SF4603 2.3 28.9 1.0 FE3 A:SF4603 2.7 24.3 1.0 FE1 A:SF4603 2.7 24.5 1.0 FE4 A:SF4603 2.7 23.7 1.0 HB2 A:CYS157 2.9 26.7 1.0 CB A:CYS157 3.1 22.2 1.0 HB3 A:ALA165 3.3 28.8 1.0 HA A:CYS157 3.6 22.8 1.0 H A:MET166 3.8 31.3 1.0 HG1 A:THR163 3.8 30.4 1.0 HG21 A:THR161 3.9 27.6 1.0 S2 A:SF4603 3.9 25.4 1.0 HB3 A:CYS157 3.9 26.7 1.0 CA A:CYS157 3.9 19.0 1.0 H A:ALA165 4.0 31.7 1.0 HB2 A:MET166 4.0 30.9 1.0 HG1 A:THR161 4.0 33.2 1.0 OG1 A:THR161 4.2 27.6 1.0 OG1 A:THR163 4.2 25.4 1.0 HG23 A:THR161 4.2 27.6 1.0 CB A:ALA165 4.3 24.0 1.0 N A:MET166 4.4 26.1 1.0 HB3 A:MET166 4.5 30.9 1.0 CG2 A:THR161 4.5 23.0 1.0 HB3 A:CYS196 4.5 30.8 1.0 HB2 A:ALA165 4.5 28.8 1.0 N A:ALA165 4.6 26.4 1.0 H A:LEU191 4.6 26.9 1.0 CB A:MET166 4.7 25.7 1.0 HA A:CYS190 4.7 34.0 1.0 C A:CYS157 4.8 23.8 1.0 H A:CYS196 4.8 27.8 1.0 SG A:CYS196 4.8 23.9 1.0 SG A:CYS193 4.8 24.4 1.0 CA A:ALA165 4.8 22.1 1.0 HB1 A:ALA165 4.8 28.8 1.0 O A:CYS157 4.9 24.1 1.0 SG A:CYS190 4.9 28.2 1.0 C A:ALA165 4.9 24.6 1.0 CB A:THR161 5.0 27.3 1.0

Iron binding site 9 out of 40 in the [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:24.3 occ:1.00 FE3 A:SF4603 0.0 24.3 1.0 SG A:CYS196 2.3 23.9 1.0 S2 A:SF4603 2.3 25.4 1.0 S4 A:SF4603 2.3 28.1 1.0 S1 A:SF4603 2.3 28.9 1.0 FE2 A:SF4603 2.7 22.6 1.0 FE4 A:SF4603 2.7 23.7 1.0 FE1 A:SF4603 2.7 24.5 1.0 H A:CYS196 3.1 27.8 1.0 HB3 A:CYS196 3.1 30.8 1.0 CB A:CYS196 3.3 25.7 1.0 HE2 A:MET166 3.7 34.6 1.0 H A:GLY194 3.8 34.3 1.0 HD11 A:LEU140 3.8 42.4 1.0 N A:CYS196 3.9 23.2 1.0 S3 A:SF4603 3.9 29.2 1.0 HB2 A:CYS157 4.0 26.7 1.0 HB2 A:MET166 4.0 30.9 1.0 HB2 A:CYS196 4.1 30.8 1.0 HD13 A:LEU140 4.2 42.4 1.0 CA A:CYS196 4.2 22.3 1.0 H A:GLN195 4.3 33.3 1.0 HA2 A:GLY194 4.4 29.8 1.0 N A:GLY194 4.5 28.6 1.0 CD1 A:LEU140 4.5 35.3 1.0 HE3 A:MET166 4.5 34.6 1.0 CE A:MET166 4.6 28.9 1.0 N A:GLN195 4.6 27.8 1.0 H A:CYS193 4.6 29.6 1.0 HD21 A:LEU140 4.6 35.7 1.0 SG A:CYS190 4.6 28.2 1.0 SG A:CYS157 4.7 23.3 1.0 SG A:CYS193 4.7 24.4 1.0 CB A:CYS157 4.8 22.2 1.0 HB2 A:GLN195 4.8 35.9 1.0 HA A:CYS196 4.8 26.8 1.0 CA A:GLY194 4.8 24.8 1.0 H A:ILE197 4.9 24.9 1.0 C A:GLY194 4.9 22.2 1.0 HE1 A:MET166 5.0 34.6 1.0 CB A:MET166 5.0 25.7 1.0

Iron binding site 10 out of 40 in the [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), Variant E279D within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:23.7 occ:1.00 FE4 A:SF4603 0.0 23.7 1.0 SG A:CYS190 2.3 28.2 1.0 S2 A:SF4603 2.3 25.4 1.0 S1 A:SF4603 2.3 28.9 1.0 S3 A:SF4603 2.3 29.2 1.0 FE1 A:SF4603 2.7 24.5 1.0 FE3 A:SF4603 2.7 24.3 1.0 FE2 A:SF4603 2.7 22.6 1.0 H A:LEU192 3.0 26.3 1.0 H A:LEU191 3.2 26.9 1.0 HB3 A:ALA165 3.3 28.8 1.0 HA A:CYS190 3.4 34.0 1.0 CB A:CYS190 3.4 27.7 1.0 HB2 A:CYS190 3.5 33.2 1.0 HD11 A:LEU140 3.7 42.4 1.0 N A:LEU191 3.7 22.4 1.0 N A:LEU192 3.8 21.9 1.0 CA A:CYS190 3.8 28.3 1.0 S4 A:SF4603 3.9 28.1 1.0 H A:CYS193 3.9 29.6 1.0 HA A:LEU192 4.0 30.5 1.0 HD2 A:PHE185 4.0 37.4 1.0 CB A:ALA165 4.1 24.0 1.0 C A:CYS190 4.2 24.8 1.0 HB1 A:ALA165 4.2 28.8 1.0 HB3 A:CYS190 4.2 33.2 1.0 CA A:LEU192 4.4 25.4 1.0 HB2 A:ALA165 4.5 28.8 1.0 CD1 A:LEU140 4.5 35.3 1.0 HD23 A:LEU192 4.6 28.4 1.0 N A:CYS193 4.6 24.7 1.0 H A:GLY194 4.7 34.3 1.0 CD2 A:PHE185 4.7 31.1 1.0 HB2 A:LEU191 4.7 28.9 1.0 C A:LEU191 4.7 26.3 1.0 HD12 A:LEU140 4.7 42.4 1.0 CA A:LEU191 4.7 25.3 1.0 HD13 A:LEU140 4.7 42.4 1.0 SG A:CYS157 4.8 23.3 1.0 SG A:CYS196 4.8 23.9 1.0 HE2 A:PHE185 4.9 39.0 1.0 HB3 A:PHE185 4.9 26.5 1.0 HB2 A:MET166 5.0 30.9 1.0

O.Lampret, J.Duan, E.Hofmann, M.Winkler, F.A.Armstrong, T.Happe. The Roles of Long-Range Proton-Coupled Electron Transfer in the Directionality and Efficiency of [Fefe]-Hydrogenases. Proc.Natl.Acad.Sci.Usa V. 117 20520 2020.
ISSN: ESSN 1091-6490
PubMed: 32796105
DOI: 10.1073/PNAS.2007090117