Iron in PDB 8cjy: [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T

All present enzymatic activity of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T:
1.12.7.2;

The structure of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T, PDB code: 8cjy was solved by C.Brocks, 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)	39.33 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	89.73, 72.29, 103.04, 90, 96.95, 90
R / Rfree (%)	16.4 / 18.7

The structure of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Chlorine	(Cl)	4 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 Cpi From Clostridium Pasteurianum, Variant S357T (pdb code 8cjy). 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 Cpi From Clostridium Pasteurianum, Variant S357T, PDB code: 8cjy:
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 Cpi From Clostridium Pasteurianum, Variant S357T


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:22.8 occ:1.00 FE1 A:402601 0.0 22.8 1.0 C3 A:402601 1.7 18.1 1.0 C4 A:402601 1.8 25.8 1.0 C5 A:402601 1.9 27.9 1.0 S1 A:402601 2.3 24.4 1.0 S2 A:402601 2.3 22.4 1.0 SG A:CYS503 2.4 20.9 1.0 FE2 A:402601 2.6 24.2 1.0 O3 A:402601 2.9 25.8 1.0 O5 A:402601 3.0 22.4 1.0 N4 A:402601 3.0 21.5 1.0 HB3 A:CYS503 3.2 22.8 1.0 CB A:CYS503 3.3 19.0 1.0 HB2 A:CYS503 3.4 22.8 1.0 C1 A:402601 3.4 22.4 1.0 C2 A:402601 3.5 25.2 1.0 C7 A:402601 3.8 23.7 1.0 C6 A:402601 3.9 21.1 1.0 N1 A:402601 3.9 25.4 1.0 FE4 A:SF4602 4.0 21.2 1.0 HE3 A:LYS358 4.1 21.0 1.0 HD2 A:PRO231 4.1 27.7 1.0 HA2 A:GLY418 4.2 27.3 1.0 HB1 A:ALA230 4.2 26.8 1.0 HE2 A:MET353 4.3 24.1 0.5 S2 A:SF4602 4.3 21.8 1.0 HG2 A:PRO354 4.4 27.5 1.0 HD2 A:PRO354 4.4 26.6 1.0 HG3 A:PRO354 4.4 27.5 1.0 HG2 A:PRO231 4.5 29.3 1.0 CG A:PRO354 4.7 22.9 1.0 CA A:CYS503 4.7 22.3 1.0 O7 A:402601 4.8 25.4 1.0 N6 A:402601 4.9 23.2 1.0 HB2 A:ALA230 4.9 26.8 1.0 HB3 A:PHE417 4.9 28.1 1.0 CE A:LYS358 4.9 17.5 1.0 HZ1 A:LYS358 4.9 27.3 1.0 CD A:PRO354 4.9 22.2 1.0 HE3 A:MET353 5.0 24.1 0.5 CD A:PRO231 5.0 23.1 1.0 H A:CYS503 5.0 26.9 1.0 HA A:CYS503 5.0 26.8 1.0

Iron binding site 2 out of 40 in the [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:24.2 occ:1.00 FE2 A:402601 0.0 24.2 1.0 C7 A:402601 1.8 23.7 1.0 C6 A:402601 1.9 21.1 1.0 C5 A:402601 2.0 27.9 1.0 S1 A:402601 2.3 24.4 1.0 S2 A:402601 2.3 22.4 1.0 FE1 A:402601 2.6 22.8 1.0 O5 A:402601 2.8 22.4 1.0 O7 A:402601 2.9 25.4 1.0 N6 A:402601 3.1 23.2 1.0 HG2 A:PRO324 3.2 28.4 1.0 N1 A:402601 3.3 25.4 1.0 C1 A:402601 3.4 22.4 1.0 C2 A:402601 3.4 25.2 1.0 HD2 A:PHE417 3.5 27.2 1.0 C4 A:402601 3.6 25.8 1.0 C3 A:402601 3.6 18.1 1.0 HD2 A:PRO324 3.7 25.6 1.0 HB2 A:PRO324 3.7 28.4 1.0 HD2 A:PRO231 3.9 27.7 1.0 CG A:PRO324 4.0 23.7 1.0 HZ1 A:LYS358 4.0 27.3 1.0 HE3 A:LYS358 4.0 21.0 1.0 HB3 A:PHE417 4.1 28.1 1.0 HG2 A:PRO231 4.2 29.3 1.0 HE3 A:MET353 4.3 24.1 0.5 CB A:PRO324 4.3 23.6 1.0 CD A:PRO324 4.3 21.3 1.0 CD2 A:PHE417 4.4 22.7 1.0 HB2 A:CYS299 4.4 29.6 1.0 HG21 A:ILE268 4.4 35.4 1.0 HE2 A:MET353 4.4 24.1 0.5 HG22 A:ILE268 4.6 35.4 1.0 SG A:CYS503 4.6 20.9 1.0 O3 A:402601 4.6 25.8 1.0 NZ A:LYS358 4.6 22.7 1.0 N4 A:402601 4.6 21.5 1.0 HZ2 A:LYS358 4.6 27.3 1.0 CD A:PRO231 4.7 23.1 1.0 HD3 A:PRO231 4.8 27.7 1.0 HG3 A:PRO324 4.8 28.4 1.0 CE A:LYS358 4.8 17.5 1.0 HB3 A:PRO324 4.8 28.4 1.0 CE A:MET353 4.8 20.1 0.5 HE1 A:MET353 4.8 25.8 0.5 H A:GLN325 4.9 24.1 1.0 HD3 A:PRO324 4.9 25.6 1.0 CG A:PRO231 4.9 24.4 1.0 CG2 A:ILE268 4.9 29.5 1.0 HB1 A:ALA230 5.0 26.8 1.0 CB A:PHE417 5.0 23.4 1.0

Iron binding site 3 out of 40 in the [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:20.9 occ:1.00 FE1 A:SF4602 0.0 20.9 1.0 S2 A:SF4602 2.2 21.8 1.0 SG A:CYS355 2.2 21.6 1.0 S4 A:SF4602 2.3 22.4 1.0 S3 A:SF4602 2.3 21.8 1.0 FE3 A:SF4602 2.7 21.1 1.0 FE4 A:SF4602 2.7 21.2 1.0 FE2 A:SF4602 2.7 21.2 1.0 HB2 A:CYS355 2.9 28.5 1.0 CB A:CYS355 3.2 23.7 1.0 HD2 A:PRO301 3.8 22.7 1.0 HB3 A:CYS355 3.8 28.5 1.0 O A:HOH732 3.8 20.2 1.0 S1 A:SF4602 3.9 21.1 1.0 HG2 A:LYS358 4.0 26.3 1.0 O3 A:402601 4.1 25.8 1.0 HA A:CYS355 4.1 25.4 1.0 OG1 A:THR357 4.2 25.1 1.0 HE2 A:LYS358 4.2 21.0 1.0 CA A:CYS355 4.3 21.2 1.0 HG2 A:PRO301 4.3 26.2 1.0 H A:THR357 4.4 27.3 1.0 CB A:THR357 4.5 22.9 1.0 H A:GLY302 4.6 26.7 1.0 C3 A:402601 4.6 18.1 1.0 CD A:PRO301 4.7 18.9 1.0 SG A:CYS300 4.7 22.0 1.0 SG A:CYS503 4.7 20.9 1.0 SG A:CYS499 4.8 22.3 1.0 HA A:CYS300 4.8 24.0 1.0 H A:LYS358 4.9 24.0 1.0 HA A:CYS503 4.9 26.8 1.0 HA3 A:GLY506 4.9 27.9 1.0 CG A:PRO301 4.9 21.9 1.0 HE3 A:LYS358 4.9 21.0 1.0 CG A:LYS358 5.0 21.9 1.0 CE A:LYS358 5.0 17.5 1.0

Iron binding site 4 out of 40 in the [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:21.2 occ:1.00 FE2 A:SF4602 0.0 21.2 1.0 S1 A:SF4602 2.2 21.1 1.0 S4 A:SF4602 2.3 22.4 1.0 SG A:CYS499 2.3 22.3 1.0 S3 A:SF4602 2.3 21.8 1.0 FE3 A:SF4602 2.7 21.1 1.0 FE1 A:SF4602 2.7 20.9 1.0 FE4 A:SF4602 2.8 21.2 1.0 HB2 A:CYS499 2.9 22.3 1.0 CB A:CYS499 3.2 18.6 1.0 H A:CYS499 3.4 25.9 1.0 HA2 A:GLY506 3.5 27.9 1.0 HB3 A:ALA498 3.8 28.3 1.0 HA A:CYS503 3.8 26.8 1.0 N A:CYS499 3.8 21.6 1.0 S2 A:SF4602 3.9 21.8 1.0 HB3 A:CYS499 3.9 22.3 1.0 CA A:CYS499 4.1 21.6 1.0 O A:HOH732 4.2 20.2 1.0 HA3 A:GLY506 4.2 27.9 1.0 CA A:GLY506 4.3 23.2 1.0 H A:ALA498 4.3 24.7 1.0 H A:GLY507 4.5 26.1 1.0 HB2 A:CYS193 4.5 27.1 1.0 SG A:CYS355 4.6 21.6 1.0 HA A:CYS499 4.6 26.0 1.0 SG A:CYS300 4.7 22.0 1.0 CB A:ALA498 4.7 23.6 1.0 C A:ALA498 4.7 23.4 1.0 CA A:CYS503 4.7 22.3 1.0 HB2 A:CYS355 4.7 28.5 1.0 HE21 A:GLN195 4.8 28.8 1.0 N A:ALA498 4.8 20.6 1.0 HB3 A:MET497 4.9 28.1 1.0 SG A:CYS503 4.9 20.9 1.0 O A:GLY502 5.0 21.6 1.0 CA A:ALA498 5.0 23.0 1.0

Iron binding site 5 out of 40 in the [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:21.1 occ:1.00 FE3 A:SF4602 0.0 21.1 1.0 S4 A:SF4602 2.2 22.4 1.0 SG A:CYS300 2.3 22.0 1.0 S2 A:SF4602 2.3 21.8 1.0 S1 A:SF4602 2.3 21.1 1.0 FE1 A:SF4602 2.7 20.9 1.0 FE2 A:SF4602 2.7 21.2 1.0 FE4 A:SF4602 2.7 21.2 1.0 H A:ALA498 3.3 24.7 1.0 HB2 A:CYS300 3.3 26.9 1.0 CB A:CYS300 3.3 22.4 1.0 HB3 A:ALA498 3.5 28.3 1.0 HA A:CYS300 3.5 24.0 1.0 H A:GLY302 3.6 26.7 1.0 HD2 A:PRO301 3.7 22.7 1.0 S3 A:SF4602 3.8 21.8 1.0 CA A:CYS300 3.9 20.0 1.0 N A:ALA498 4.1 20.6 1.0 H A:CYS499 4.1 25.9 1.0 HB3 A:CYS300 4.2 26.9 1.0 HB3 A:MET497 4.2 28.1 1.0 CB A:ALA498 4.3 23.6 1.0 HB2 A:ALA498 4.3 28.3 1.0 HA A:MET497 4.4 27.9 1.0 HA3 A:GLY302 4.4 25.2 1.0 C A:CYS300 4.4 20.0 1.0 N A:GLY302 4.5 22.2 1.0 H A:TRP303 4.5 26.3 1.0 CD A:PRO301 4.5 18.9 1.0 N A:PRO301 4.6 20.8 1.0 SG A:CYS499 4.7 22.3 1.0 CA A:ALA498 4.7 23.0 1.0 SG A:CYS503 4.7 20.9 1.0 N A:CYS499 4.8 21.6 1.0 SG A:CYS355 4.8 21.6 1.0 HG2 A:PRO301 4.9 26.2 1.0 C2 A:402601 4.9 25.2 1.0 SD A:MET497 4.9 26.6 1.0 HB2 A:CYS499 4.9 22.3 1.0 CA A:GLY302 5.0 21.0 1.0 CA A:MET497 5.0 23.2 1.0

Iron binding site 6 out of 40 in the [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:21.2 occ:1.00 FE4 A:SF4602 0.0 21.2 1.0 S3 A:SF4602 2.2 21.8 1.0 S2 A:SF4602 2.3 21.8 1.0 SG A:CYS503 2.3 20.9 1.0 S1 A:SF4602 2.3 21.1 1.0 FE1 A:SF4602 2.7 20.9 1.0 FE3 A:SF4602 2.7 21.1 1.0 FE2 A:SF4602 2.8 21.2 1.0 HA A:CYS503 2.9 26.8 1.0 CB A:CYS503 3.2 19.0 1.0 HB3 A:CYS503 3.4 22.8 1.0 CA A:CYS503 3.4 22.3 1.0 C3 A:402601 3.8 18.1 1.0 S4 A:SF4602 3.9 22.4 1.0 N A:CYS503 3.9 22.4 1.0 FE1 A:402601 4.0 22.8 1.0 O3 A:402601 4.1 25.8 1.0 H A:CYS503 4.1 26.9 1.0 HB2 A:CYS503 4.1 22.8 1.0 HB2 A:CYS355 4.1 28.5 1.0 S2 A:402601 4.2 22.4 1.0 C2 A:402601 4.2 25.2 1.0 HB2 A:CYS499 4.5 22.3 1.0 HG2 A:PRO354 4.5 27.5 1.0 HB3 A:MET497 4.6 28.1 1.0 C A:GLY502 4.7 22.7 1.0 HB2 A:CYS300 4.7 26.9 1.0 SG A:CYS355 4.7 21.6 1.0 SD A:MET497 4.8 26.6 1.0 SG A:CYS300 4.8 22.0 1.0 C A:CYS503 4.8 21.9 1.0 HA A:CYS300 4.8 24.0 1.0 CB A:CYS355 4.9 23.7 1.0 SG A:CYS499 4.9 22.3 1.0 HA3 A:GLY506 4.9 27.9 1.0 H A:CYS499 4.9 25.9 1.0 HD2 A:PRO301 4.9 22.7 1.0

Iron binding site 7 out of 40 in the [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:22.6 occ:1.00 FE1 A:SF4603 0.0 22.6 1.0 S4 A:SF4603 2.3 22.8 1.0 SG A:CYS193 2.3 22.7 1.0 S2 A:SF4603 2.3 22.4 1.0 S3 A:SF4603 2.3 20.9 1.0 FE3 A:SF4603 2.7 22.5 1.0 FE2 A:SF4603 2.8 21.0 1.0 FE4 A:SF4603 2.8 21.6 1.0 H A:CYS193 3.0 27.4 1.0 HG21 A:THR161 3.2 29.1 1.0 H A:GLY194 3.3 27.3 1.0 H A:GLN195 3.5 26.1 1.0 N A:CYS193 3.6 22.8 1.0 CB A:CYS193 3.7 22.6 1.0 HB2 A:LEU191 3.8 27.3 1.0 N A:GLY194 3.8 22.7 1.0 HB3 A:CYS193 3.9 27.1 1.0 S1 A:SF4603 3.9 21.4 1.0 HB2 A:GLN195 4.0 31.5 1.0 H A:LEU192 4.0 27.1 1.0 H A:LEU191 4.0 27.4 1.0 CA A:CYS193 4.0 20.7 1.0 CG2 A:THR161 4.1 24.2 1.0 HG23 A:THR161 4.1 29.1 1.0 H A:CYS196 4.2 28.5 1.0 N A:GLN195 4.2 21.7 1.0 C A:CYS193 4.3 22.7 1.0 N A:LEU192 4.4 22.6 1.0 HB2 A:CYS193 4.4 27.1 1.0 HG22 A:THR161 4.5 29.1 1.0 C A:LEU192 4.6 20.5 1.0 SG A:CYS190 4.7 21.8 1.0 CB A:LEU191 4.7 22.7 1.0 SG A:CYS196 4.7 22.7 1.0 HA A:LEU192 4.7 26.6 1.0 N A:LEU191 4.7 22.8 1.0 CA A:GLY194 4.8 21.5 1.0 HG A:LEU191 4.8 25.4 1.0 HD12 A:LEU191 4.8 31.1 1.0 SG A:CYS157 4.8 21.7 1.0 HA2 A:GLY194 4.8 25.8 1.0 CA A:LEU192 4.8 22.1 1.0 CB A:GLN195 4.9 26.2 1.0 HA A:CYS157 4.9 24.3 1.0 C A:LEU191 4.9 20.6 1.0 HG2 A:GLN195 5.0 32.9 1.0 N A:CYS196 5.0 23.8 1.0 C A:GLY194 5.0 23.2 1.0 HA A:CYS193 5.0 24.9 1.0

Iron binding site 8 out of 40 in the [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:21.0 occ:1.00 FE2 A:SF4603 0.0 21.0 1.0 S3 A:SF4603 2.3 20.9 1.0 SG A:CYS157 2.3 21.7 1.0 S1 A:SF4603 2.3 21.4 1.0 S4 A:SF4603 2.3 22.8 1.0 FE4 A:SF4603 2.7 21.6 1.0 FE3 A:SF4603 2.7 22.5 1.0 FE1 A:SF4603 2.8 22.6 1.0 HB2 A:CYS157 3.0 26.3 1.0 HB3 A:ALA165 3.2 28.1 1.0 CB A:CYS157 3.2 21.9 1.0 HA A:CYS157 3.6 24.3 1.0 HG1 A:THR163 3.7 30.1 1.0 HG21 A:THR161 3.8 29.1 1.0 S2 A:SF4603 3.9 22.4 1.0 H A:MET166 3.9 26.7 1.0 CA A:CYS157 4.0 20.2 1.0 HB3 A:CYS157 4.0 26.3 1.0 HG1 A:THR161 4.0 27.1 1.0 HB2 A:MET166 4.1 31.2 1.0 H A:ALA165 4.1 27.5 1.0 OG1 A:THR163 4.1 25.0 1.0 CB A:ALA165 4.2 23.4 1.0 OG1 A:THR161 4.2 22.6 1.0 HG23 A:THR161 4.2 29.1 1.0 N A:MET166 4.4 22.2 1.0 HB3 A:CYS196 4.4 28.1 1.0 CG2 A:THR161 4.4 24.2 1.0 HB3 A:MET166 4.5 31.2 1.0 HB2 A:ALA165 4.6 28.1 1.0 HB1 A:ALA165 4.6 28.1 1.0 N A:ALA165 4.7 22.9 1.0 H A:LEU191 4.7 27.4 1.0 CB A:MET166 4.7 26.0 1.0 HA A:CYS190 4.7 27.6 1.0 CA A:ALA165 4.8 22.0 1.0 SG A:CYS193 4.8 22.7 1.0 H A:CYS196 4.8 28.5 1.0 SG A:CYS196 4.8 22.7 1.0 C A:CYS157 4.9 20.7 1.0 SG A:CYS190 4.9 21.8 1.0 C A:ALA165 4.9 26.2 1.0 CB A:THR161 5.0 21.2 1.0 O A:CYS157 5.0 22.8 1.0 HE2 A:MET166 5.0 31.8 1.0

Iron binding site 9 out of 40 in the [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:22.5 occ:1.00 FE3 A:SF4603 0.0 22.5 1.0 S2 A:SF4603 2.3 22.4 1.0 SG A:CYS196 2.3 22.7 1.0 S4 A:SF4603 2.3 22.8 1.0 S1 A:SF4603 2.3 21.4 1.0 FE2 A:SF4603 2.7 21.0 1.0 FE1 A:SF4603 2.7 22.6 1.0 FE4 A:SF4603 2.8 21.6 1.0 HB3 A:CYS196 3.0 28.1 1.0 H A:CYS196 3.1 28.5 1.0 CB A:CYS196 3.3 23.4 1.0 HE2 A:MET166 3.8 31.8 1.0 H A:GLY194 3.8 27.3 1.0 N A:CYS196 3.9 23.8 1.0 HD11 A:LEU140 3.9 40.9 1.0 S3 A:SF4603 3.9 20.9 1.0 HB2 A:CYS196 4.0 28.1 1.0 HB2 A:MET166 4.1 31.2 1.0 HB2 A:CYS157 4.1 26.3 1.0 HD13 A:LEU140 4.1 40.9 1.0 CA A:CYS196 4.2 22.4 1.0 HA2 A:GLY194 4.3 25.8 1.0 H A:GLN195 4.3 26.1 1.0 N A:GLY194 4.4 22.7 1.0 CD1 A:LEU140 4.5 34.1 1.0 N A:GLN195 4.6 21.7 1.0 CE A:MET166 4.6 26.4 1.0 HE3 A:MET166 4.6 31.8 1.0 SG A:CYS190 4.6 21.8 1.0 SG A:CYS193 4.7 22.7 1.0 CA A:GLY194 4.7 21.5 1.0 SG A:CYS157 4.7 21.7 1.0 HA A:CYS196 4.8 26.8 1.0 HB2 A:GLN195 4.8 31.5 1.0 C A:GLY194 4.9 23.2 1.0 CB A:CYS157 4.9 21.9 1.0 H A:ILE197 4.9 26.1 1.0 H A:CYS193 4.9 27.4 1.0 HE1 A:MET166 4.9 31.8 1.0 HD21 A:LEU140 5.0 39.7 1.0 CB A:MET166 5.0 26.0 1.0

Iron binding site 10 out of 40 in the [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of [Fefe]-Hydrogenase Cpi From Clostridium Pasteurianum, Variant S357T within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:21.6 occ:1.00 FE4 A:SF4603 0.0 21.6 1.0 S1 A:SF4603 2.3 21.4 1.0 SG A:CYS190 2.3 21.8 1.0 S3 A:SF4603 2.3 20.9 1.0 S2 A:SF4603 2.3 22.4 1.0 FE2 A:SF4603 2.7 21.0 1.0 FE3 A:SF4603 2.8 22.5 1.0 FE1 A:SF4603 2.8 22.6 1.0 H A:LEU192 3.1 27.1 1.0 HB3 A:ALA165 3.3 28.1 1.0 H A:LEU191 3.3 27.4 1.0 CB A:CYS190 3.4 20.8 1.0 HA A:CYS190 3.4 27.6 1.0 HB2 A:CYS190 3.5 25.0 1.0 HD11 A:LEU140 3.8 40.9 1.0 CA A:CYS190 3.8 23.0 1.0 N A:LEU191 3.8 22.8 1.0 N A:LEU192 3.9 22.6 1.0 S4 A:SF4603 3.9 22.8 1.0 HD1 A:PHE185 4.0 29.4 1.0 HB1 A:ALA165 4.0 28.1 1.0 HA A:LEU192 4.0 26.6 1.0 CB A:ALA165 4.1 23.4 1.0 H A:CYS193 4.1 27.4 1.0 HB3 A:CYS190 4.2 25.0 1.0 C A:CYS190 4.3 22.2 1.0 HB2 A:ALA165 4.5 28.1 1.0 CA A:LEU192 4.5 22.1 1.0 HD23 A:LEU192 4.6 26.1 1.0 HG1 A:THR163 4.6 30.1 1.0 H A:GLY194 4.6 27.3 1.0 CD1 A:PHE185 4.6 24.5 1.0 CD1 A:LEU140 4.7 34.1 1.0 HB2 A:LEU191 4.7 27.3 1.0 SG A:CYS157 4.8 21.7 1.0 HE1 A:PHE185 4.8 37.2 1.0 N A:CYS193 4.8 22.8 1.0 CA A:LEU191 4.8 21.7 1.0 C A:LEU191 4.8 20.6 1.0 SG A:CYS196 4.8 22.7 1.0 HD13 A:LEU140 4.9 40.9 1.0 HD12 A:LEU140 4.9 40.9 1.0 HB3 A:PHE185 4.9 31.6 1.0 HB2 A:MET166 5.0 31.2 1.0

C.Brocks, C.K.Das, J.Duan, S.Yadav, U.P.Apfel, S.Ghosh, E.Hofmann, M.Winkler, V.Engelbrecht, L.V.Schafer, T.Happe. A Dynamic Water Channel Affects O2 Stability in [Fefe] Hydrogenases. Chemsuschem 01365 2023.
ISSN: ESSN 1864-564X
PubMed: 37830175
DOI: 10.1002/CSSC.202301365