Iron in PDB 8qm3: Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi)

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

The structure of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), PDB code: 8qm3 was solved by J.Duan, E.Hofmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.95 / 1.53
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	87.29, 69.77, 102.64, 90, 102.74, 90
R / Rfree (%)	16.2 / 19.4

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

Chlorine	(Cl)	7 atoms
Magnesium	(Mg)	5 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 Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) (pdb code 8qm3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 40 binding sites of Iron where determined in the Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), PDB code: 8qm3:
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 Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:17.1 occ:0.94 FE1 A:402601 0.0 17.1 0.9 C3 A:402601 1.7 10.6 0.9 C4 A:402601 1.8 18.9 0.9 C5 A:402601 1.9 22.1 0.9 S2 A:402601 2.3 18.5 0.9 S1 A:402601 2.3 18.6 0.9 SG A:CYS503 2.3 17.4 1.0 FE2 A:402601 2.6 20.2 0.9 O3 A:402601 3.0 17.2 0.9 O5 A:402601 3.0 18.8 0.9 N4 A:402601 3.1 16.7 0.9 CL A:CL614 3.2 16.7 0.1 HB3 A:CYS503 3.3 18.8 1.0 CB A:CYS503 3.3 15.7 1.0 C1 A:402601 3.4 15.7 0.9 HB2 A:CYS503 3.4 18.8 1.0 C2 A:402601 3.4 18.2 0.9 N1 A:402601 3.8 20.7 0.9 C7 A:402601 3.8 18.9 0.9 C6 A:402601 3.9 20.6 0.9 FE4 A:SF4602 4.0 17.2 1.0 HE3 A:LYS358 4.0 22.6 1.0 HA2 A:GLY418 4.2 27.4 1.0 HD2 A:PRO231 4.2 22.5 1.0 HB1 A:ALA230 4.2 21.7 1.0 HE3 A:MET353 4.3 17.2 0.4 HG3 A:PRO354 4.3 17.5 1.0 S2 A:SF4602 4.3 18.2 1.0 HG2 A:PRO354 4.3 17.5 1.0 HD2 A:PRO354 4.4 20.8 1.0 HG2 A:PRO231 4.5 24.8 1.0 HE1 A:MET353 4.6 17.2 0.4 HE1 A:MET497 4.6 23.1 0.3 CG A:PRO354 4.7 14.6 1.0 CA A:CYS503 4.8 19.4 1.0 N6 A:402601 4.8 15.5 0.9 HE2 A:LYS358 4.8 22.6 1.0 HE1 A:MET497 4.8 21.8 0.4 O7 A:402601 4.8 21.2 0.9 CE A:LYS358 4.9 18.9 1.0 HB2 A:ALA230 4.9 21.7 1.0 HE3 A:MET497 4.9 21.8 0.4 HB3 A:PHE417 4.9 24.3 1.0 CD A:PRO354 4.9 17.3 1.0 CE A:MET353 4.9 14.4 0.4 H A:CYS503 5.0 21.0 1.0 HA A:CYS503 5.0 23.3 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:20.2 occ:0.94 FE2 A:402601 0.0 20.2 0.9 C7 A:402601 1.8 18.9 0.9 C6 A:402601 1.9 20.6 0.9 C5 A:402601 2.0 22.1 0.9 S2 A:402601 2.3 18.5 0.9 S1 A:402601 2.3 18.6 0.9 FE1 A:402601 2.6 17.1 0.9 O7 A:402601 2.9 21.2 0.9 O5 A:402601 2.9 18.8 0.9 N6 A:402601 3.0 15.5 0.9 HG2 A:PRO324 3.2 20.5 1.0 HD2 A:PHE417 3.4 24.4 1.0 N1 A:402601 3.4 20.7 0.9 C1 A:402601 3.5 15.7 0.9 C2 A:402601 3.5 18.2 0.9 HD2 A:PRO324 3.6 22.2 1.0 C4 A:402601 3.7 18.9 0.9 HB2 A:PRO324 3.7 20.1 1.0 C3 A:402601 3.7 10.6 0.9 HE3 A:LYS358 4.0 22.6 1.0 HB3 A:PHE417 4.0 24.3 1.0 CG A:PRO324 4.0 17.1 1.0 HD2 A:PRO231 4.1 22.5 1.0 HZ1 A:LYS358 4.1 22.9 1.0 HE1 A:MET353 4.3 17.2 0.4 C A:FOR607 4.3 24.1 0.2 CD A:PRO324 4.3 18.5 1.0 CB A:PRO324 4.3 16.7 1.0 HG2 A:PRO231 4.3 24.8 1.0 CD2 A:PHE417 4.3 20.4 1.0 HB2 A:CYS299 4.4 26.6 0.2 HB2 A:CYS299 4.4 26.9 0.5 HB3 A:CYS299 4.4 26.7 0.3 SG A:CYS503 4.5 17.4 1.0 N4 A:402601 4.6 16.7 0.9 C A:FOR613 4.7 27.4 0.7 CL A:CL614 4.7 16.7 0.1 NZ A:LYS358 4.7 19.1 1.0 HG22 A:ILE268 4.7 28.8 1.0 CE A:LYS358 4.7 18.9 1.0 O3 A:402601 4.8 17.2 0.9 HE3 A:MET353 4.8 17.2 0.4 HG3 A:PRO324 4.8 20.5 1.0 HZ2 A:LYS358 4.8 22.9 1.0 HG21 A:ILE268 4.8 28.8 1.0 CD A:PRO231 4.8 18.8 1.0 HB3 A:PRO324 4.8 20.1 1.0 CB A:PHE417 4.9 20.2 1.0 H A:GLN325 4.9 18.9 1.0 HD3 A:PRO324 4.9 22.2 1.0 HE2 A:PHE417 5.0 20.4 1.0 CE A:MET353 5.0 14.4 0.4 HE1 A:MET353 5.0 16.7 0.6 CG A:PRO231 5.0 20.7 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:16.8 occ:1.00 FE1 A:SF4602 0.0 16.8 1.0 S4 A:SF4602 2.2 15.9 1.0 S2 A:SF4602 2.3 18.2 1.0 S3 A:SF4602 2.3 16.5 1.0 SG A:CYS355 2.3 17.5 1.0 FE4 A:SF4602 2.7 17.2 1.0 FE2 A:SF4602 2.7 16.2 1.0 FE3 A:SF4602 2.7 17.1 1.0 HG A:SER357 2.9 19.5 0.6 HB2 A:CYS355 3.0 21.5 1.0 CB A:CYS355 3.3 17.9 1.0 OG A:SER357 3.6 16.3 0.6 O A:HOH737 3.7 17.3 1.0 S1 A:SF4602 3.8 15.7 1.0 HD2 A:PRO301 3.8 21.0 1.0 HB3 A:SER357 3.8 20.4 0.4 HB3 A:CYS355 3.9 21.5 1.0 HG2 A:LYS358 4.0 19.6 1.0 O3 A:402601 4.0 17.2 0.9 HA A:CYS355 4.2 22.2 1.0 HE2 A:LYS358 4.3 22.6 1.0 HB2 A:SER357 4.4 20.4 0.4 CA A:CYS355 4.4 18.5 1.0 HG2 A:PRO301 4.4 24.4 1.0 H A:SER357 4.4 20.2 0.6 H A:SER357 4.4 20.2 0.4 CB A:SER357 4.5 17.0 0.4 C3 A:402601 4.6 10.6 0.9 H A:LYS358 4.6 19.7 0.4 H A:GLY302 4.6 18.2 1.0 H A:LYS358 4.6 19.7 0.6 SG A:CYS503 4.7 17.4 1.0 SG A:CYS499 4.7 16.9 1.0 CD A:PRO301 4.7 17.5 1.0 SG A:CYS300 4.7 16.9 1.0 CB A:SER357 4.8 16.2 0.6 HA A:CYS300 4.8 22.6 1.0 CG A:LYS358 4.8 16.4 1.0 HB3 A:SER357 4.9 19.4 0.6 HA A:CYS503 4.9 23.3 1.0 HA3 A:GLY506 4.9 21.5 1.0 H A:GLY507 4.9 18.9 1.0 H A:THR356 4.9 18.8 1.0 HG3 A:LYS358 4.9 19.6 1.0 HA A:CYS193 4.9 20.7 1.0 HG2 A:PRO354 5.0 17.5 1.0 CG A:PRO301 5.0 20.3 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:16.2 occ:1.00 FE2 A:SF4602 0.0 16.2 1.0 S1 A:SF4602 2.3 15.7 1.0 S3 A:SF4602 2.3 16.5 1.0 SG A:CYS499 2.3 16.9 1.0 S4 A:SF4602 2.3 15.9 1.0 FE1 A:SF4602 2.7 16.8 1.0 FE4 A:SF4602 2.7 17.2 1.0 FE3 A:SF4602 2.7 17.1 1.0 HB2 A:CYS499 2.8 20.7 1.0 CB A:CYS499 3.1 17.2 1.0 H A:CYS499 3.4 21.2 1.0 HA2 A:GLY506 3.6 21.5 1.0 HA A:CYS503 3.8 23.3 1.0 N A:CYS499 3.9 17.7 1.0 HB3 A:CYS499 3.9 20.7 1.0 S2 A:SF4602 3.9 18.2 1.0 O A:HOH737 4.0 17.3 1.0 HA3 A:GLY506 4.1 21.5 1.0 CA A:CYS499 4.1 14.4 1.0 CA A:GLY506 4.3 17.9 1.0 H A:GLY507 4.3 18.9 1.0 HB2 A:CYS193 4.4 19.1 1.0 SG A:CYS355 4.6 17.5 1.0 HA A:CYS499 4.6 17.3 1.0 CB A:ALA498 4.6 17.6 1.0 SG A:CYS300 4.7 16.9 1.0 C A:ALA498 4.7 16.2 1.0 HE21 A:GLN195 4.7 23.9 1.0 HB2 A:CYS355 4.7 21.5 1.0 CA A:CYS503 4.8 19.4 1.0 HA A:CYS193 4.8 20.7 1.0 HE2 A:MET497 4.8 21.8 0.4 HG A:SER357 4.9 19.5 0.6 N A:ALA498 4.9 16.1 1.0 SG A:CYS503 4.9 17.4 1.0 HE3 A:MET497 5.0 23.1 0.3 O A:CYS193 5.0 16.2 1.0 CA A:ALA498 5.0 18.0 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:17.1 occ:1.00 FE3 A:SF4602 0.0 17.1 1.0 SG A:CYS300 2.2 16.9 1.0 S4 A:SF4602 2.2 15.9 1.0 S2 A:SF4602 2.3 18.2 1.0 S1 A:SF4602 2.3 15.7 1.0 FE1 A:SF4602 2.7 16.8 1.0 FE2 A:SF4602 2.7 16.2 1.0 FE4 A:SF4602 2.8 17.2 1.0 HB2 A:CYS300 3.3 22.9 1.0 CB A:CYS300 3.3 19.1 1.0 HA A:CYS300 3.5 22.6 1.0 H A:GLY302 3.6 18.2 1.0 HD2 A:PRO301 3.6 21.0 1.0 CA A:CYS300 3.9 18.8 1.0 S3 A:SF4602 3.9 16.5 1.0 N A:ALA498 4.1 16.1 1.0 H A:CYS499 4.1 21.2 1.0 HB3 A:CYS300 4.2 22.9 1.0 CB A:ALA498 4.2 17.6 1.0 HA A:MET497 4.4 22.4 0.4 HA A:MET497 4.4 22.4 0.3 HE2 A:MET497 4.4 21.8 0.4 HA3 A:GLY302 4.4 20.8 1.0 C A:CYS300 4.4 17.5 1.0 HG A:SER357 4.4 19.5 0.6 HA A:MET497 4.4 22.4 0.3 N A:GLY302 4.4 15.1 1.0 H A:TRP303 4.5 18.6 1.0 CD A:PRO301 4.5 17.5 1.0 N A:PRO301 4.5 16.0 1.0 HB3 A:MET497 4.5 23.4 0.3 HB3 A:MET497 4.6 23.8 0.4 OG A:SER357 4.6 16.3 0.6 C2 A:402601 4.6 18.2 0.9 HB3 A:MET497 4.7 23.7 0.3 CA A:ALA498 4.7 18.0 1.0 SG A:CYS499 4.7 16.9 1.0 N A:CYS499 4.8 17.7 1.0 SG A:CYS355 4.8 17.5 1.0 SG A:CYS503 4.8 17.4 1.0 SD A:MET497 4.8 18.5 0.3 HB2 A:CYS499 4.9 20.7 1.0 HE3 A:MET497 4.9 21.8 0.4 SD A:MET497 4.9 20.0 0.3 HE3 A:MET497 4.9 23.1 0.3 HG2 A:PRO301 4.9 24.4 1.0 HB3 A:SER357 4.9 20.4 0.4 CA A:GLY302 4.9 17.3 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:17.2 occ:1.00 FE4 A:SF4602 0.0 17.2 1.0 S3 A:SF4602 2.2 16.5 1.0 S2 A:SF4602 2.3 18.2 1.0 S1 A:SF4602 2.3 15.7 1.0 SG A:CYS503 2.3 17.4 1.0 FE1 A:SF4602 2.7 16.8 1.0 FE2 A:SF4602 2.7 16.2 1.0 FE3 A:SF4602 2.8 17.1 1.0 HA A:CYS503 2.9 23.3 1.0 CB A:CYS503 3.3 15.7 1.0 CA A:CYS503 3.5 19.4 1.0 HB3 A:CYS503 3.5 18.8 1.0 HE2 A:MET497 3.5 21.8 0.4 HE3 A:MET497 3.7 23.1 0.3 C3 A:402601 3.8 10.6 0.9 S4 A:SF4602 3.9 15.9 1.0 N A:CYS503 3.9 17.5 1.0 O3 A:402601 4.0 17.2 0.9 C2 A:402601 4.0 18.2 0.9 HE3 A:MET497 4.0 21.8 0.4 FE1 A:402601 4.0 17.1 0.9 H A:CYS503 4.0 21.0 1.0 HE1 A:MET497 4.1 21.8 0.4 CE A:MET497 4.1 18.2 0.4 HB2 A:CYS355 4.1 21.5 1.0 HE1 A:MET497 4.1 23.1 0.3 HB2 A:CYS503 4.2 18.8 1.0 S2 A:402601 4.2 18.5 0.9 CE A:MET497 4.2 19.2 0.3 HB2 A:CYS499 4.3 20.7 1.0 HG2 A:PRO354 4.5 17.5 1.0 SD A:MET497 4.5 18.5 0.3 SG A:CYS355 4.7 17.5 1.0 C A:GLY502 4.7 16.7 1.0 HB2 A:CYS300 4.7 22.9 1.0 SG A:CYS300 4.8 16.9 1.0 SD A:MET497 4.8 20.0 0.3 HA3 A:GLY506 4.8 21.5 1.0 HB3 A:MET497 4.8 23.8 0.4 C A:CYS503 4.9 19.1 1.0 HA A:CYS300 4.9 22.6 1.0 HB3 A:MET497 4.9 23.4 0.3 SG A:CYS499 4.9 16.9 1.0 CB A:CYS355 4.9 17.9 1.0 H A:CYS499 4.9 21.2 1.0 HB3 A:MET497 5.0 23.7 0.3 HD2 A:PRO301 5.0 21.0 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:16.9 occ:1.00 FE1 A:SF4603 0.0 16.9 1.0 SG A:CYS193 2.3 17.1 1.0 S4 A:SF4603 2.3 16.0 1.0 S2 A:SF4603 2.4 16.4 1.0 S3 A:SF4603 2.4 17.1 1.0 FE3 A:SF4603 2.8 16.7 1.0 FE2 A:SF4603 2.8 16.8 1.0 FE4 A:SF4603 2.8 16.7 1.0 H A:CYS193 3.0 21.7 1.0 HG21 A:THR161 3.2 22.4 1.0 H A:GLY194 3.3 17.0 1.0 H A:GLN195 3.5 19.4 1.0 N A:CYS193 3.6 18.1 1.0 CB A:CYS193 3.7 15.9 1.0 N A:GLY194 3.8 14.2 1.0 HB2 A:LEU191 3.8 24.1 1.0 HG23 A:THR161 4.0 22.4 1.0 HB3 A:CYS193 4.0 19.1 1.0 S1 A:SF4603 4.0 17.9 1.0 CG2 A:THR161 4.0 18.6 1.0 H A:LEU191 4.0 19.8 1.0 H A:LEU192 4.0 21.1 1.0 HB2 A:GLN195 4.0 20.2 1.0 CA A:CYS193 4.0 17.3 1.0 H A:CYS196 4.2 20.1 1.0 N A:GLN195 4.2 16.2 1.0 C A:CYS193 4.3 17.3 1.0 N A:LEU192 4.4 17.6 1.0 HB2 A:CYS193 4.4 19.1 1.0 HG22 A:THR161 4.4 22.4 1.0 C A:LEU192 4.6 20.6 1.0 HA A:LEU192 4.7 23.8 1.0 SG A:CYS196 4.7 17.5 1.0 N A:LEU191 4.7 16.5 1.0 CA A:GLY194 4.7 14.9 1.0 CB A:LEU191 4.7 20.1 1.0 SG A:CYS190 4.7 18.0 1.0 HA2 A:GLY194 4.8 17.9 1.0 HA A:CYS157 4.8 15.1 1.0 HG2 A:GLN195 4.8 24.9 1.0 SG A:CYS157 4.8 16.6 1.0 CA A:LEU192 4.8 19.8 1.0 CB A:GLN195 4.9 16.9 1.0 HD12 A:LEU191 4.9 24.5 1.0 HG A:LEU191 4.9 20.7 1.0 C A:GLY194 4.9 14.6 1.0 C A:LEU191 4.9 18.0 1.0 N A:CYS196 5.0 16.8 1.0 HA A:CYS193 5.0 20.7 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:16.8 occ:1.00 FE2 A:SF4603 0.0 16.8 1.0 S3 A:SF4603 2.3 17.1 1.0 SG A:CYS157 2.3 16.6 1.0 S1 A:SF4603 2.3 17.9 1.0 S4 A:SF4603 2.3 16.0 1.0 FE4 A:SF4603 2.7 16.7 1.0 FE3 A:SF4603 2.7 16.7 1.0 FE1 A:SF4603 2.8 16.9 1.0 HB2 A:CYS157 3.0 19.6 1.0 CB A:CYS157 3.2 16.4 1.0 HB3 A:ALA165 3.2 23.9 1.0 HA A:CYS157 3.5 15.1 1.0 HG1 A:THR163 3.7 24.1 1.0 H A:MET166 3.8 21.1 1.0 HG21 A:THR161 3.8 22.4 1.0 S2 A:SF4603 3.9 16.4 1.0 CA A:CYS157 3.9 12.6 1.0 HG1 A:THR161 4.0 22.3 1.0 HB3 A:CYS157 4.0 19.6 1.0 OG1 A:THR163 4.0 20.0 1.0 HG23 A:THR161 4.1 22.4 1.0 H A:ALA165 4.1 21.0 1.0 HB2 A:MET166 4.1 20.8 1.0 OG1 A:THR161 4.2 18.6 1.0 CB A:ALA165 4.2 19.9 1.0 CG2 A:THR161 4.4 18.6 1.0 N A:MET166 4.4 17.6 1.0 HB3 A:MET166 4.5 20.8 1.0 HB3 A:CYS196 4.5 21.8 1.0 HB1 A:ALA165 4.6 23.9 1.0 H A:LEU191 4.6 19.8 1.0 HA A:CYS190 4.6 21.3 1.0 N A:ALA165 4.7 17.5 1.0 HB2 A:ALA165 4.7 23.9 1.0 CB A:MET166 4.7 17.3 1.0 SG A:CYS193 4.8 17.1 1.0 H A:CYS196 4.8 20.1 1.0 C A:CYS157 4.8 15.8 1.0 CA A:ALA165 4.8 16.2 1.0 SG A:CYS196 4.8 17.5 1.0 O A:CYS157 4.9 17.3 1.0 SG A:CYS190 4.9 18.0 1.0 CB A:THR161 4.9 19.4 1.0 C A:ALA165 4.9 18.5 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:16.7 occ:1.00 FE3 A:SF4603 0.0 16.7 1.0 S2 A:SF4603 2.3 16.4 1.0 SG A:CYS196 2.3 17.5 1.0 S1 A:SF4603 2.3 17.9 1.0 S4 A:SF4603 2.3 16.0 1.0 FE2 A:SF4603 2.7 16.8 1.0 FE4 A:SF4603 2.7 16.7 1.0 FE1 A:SF4603 2.8 16.9 1.0 H A:CYS196 3.1 20.1 1.0 HB3 A:CYS196 3.1 21.8 1.0 CB A:CYS196 3.3 18.2 1.0 HE2 A:MET166 3.7 29.9 1.0 H A:GLY194 3.8 17.0 1.0 HD11 A:LEU140 3.8 28.8 1.0 N A:CYS196 3.9 16.8 1.0 S3 A:SF4603 3.9 17.1 1.0 HB2 A:CYS196 4.0 21.8 1.0 HB2 A:CYS157 4.1 19.6 1.0 HB2 A:MET166 4.1 20.8 1.0 HA2 A:GLY194 4.2 17.9 1.0 H A:GLN195 4.2 19.4 1.0 CA A:CYS196 4.2 17.6 1.0 HD13 A:LEU140 4.3 28.8 1.0 HE3 A:MET166 4.4 29.9 1.0 N A:GLY194 4.4 14.2 1.0 CE A:MET166 4.5 24.9 1.0 N A:GLN195 4.5 16.2 1.0 CD1 A:LEU140 4.5 24.0 1.0 CA A:GLY194 4.6 14.9 1.0 SG A:CYS190 4.7 18.0 1.0 SG A:CYS193 4.7 17.1 1.0 SG A:CYS157 4.7 16.6 1.0 HA A:CYS196 4.8 21.1 1.0 CB A:CYS157 4.8 16.4 1.0 C A:GLY194 4.8 14.6 1.0 HD21 A:LEU140 4.8 28.4 1.0 H A:ILE197 4.9 16.6 1.0 H A:CYS193 4.9 21.7 1.0 HE1 A:MET166 4.9 29.9 1.0 HB2 A:GLN195 4.9 20.2 1.0 HA A:CYS157 5.0 15.1 1.0 CB A:MET166 5.0 17.3 1.0 C A:GLN195 5.0 14.9 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Formaldehyde-Inhibited [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:16.7 occ:1.00 FE4 A:SF4603 0.0 16.7 1.0 S1 A:SF4603 2.3 17.9 1.0 SG A:CYS190 2.3 18.0 1.0 S3 A:SF4603 2.3 17.1 1.0 S2 A:SF4603 2.3 16.4 1.0 FE2 A:SF4603 2.7 16.8 1.0 FE3 A:SF4603 2.7 16.7 1.0 FE1 A:SF4603 2.8 16.9 1.0 H A:LEU192 3.1 21.1 1.0 H A:LEU191 3.3 19.8 1.0 HA A:CYS190 3.3 21.3 1.0 HB3 A:ALA165 3.4 23.9 1.0 CB A:CYS190 3.4 14.9 1.0 HB2 A:CYS190 3.6 17.9 1.0 HD11 A:LEU140 3.7 28.8 1.0 CA A:CYS190 3.8 17.8 1.0 N A:LEU191 3.8 16.5 1.0 N A:LEU192 3.9 17.6 1.0 S4 A:SF4603 3.9 16.0 1.0 HB1 A:ALA165 4.0 23.9 1.0 HD2 A:PHE185 4.0 18.9 1.0 HA A:LEU192 4.0 23.8 1.0 CB A:ALA165 4.1 19.9 1.0 H A:CYS193 4.2 21.7 1.0 C A:CYS190 4.2 18.9 1.0 HB3 A:CYS190 4.3 17.9 1.0 HD23 A:LEU192 4.5 19.4 1.0 CA A:LEU192 4.5 19.8 1.0 HB2 A:ALA165 4.5 23.9 1.0 H A:GLY194 4.6 17.0 1.0 CD1 A:LEU140 4.6 24.0 1.0 CD2 A:PHE185 4.6 15.8 1.0 HE2 A:PHE185 4.7 28.4 1.0 SG A:CYS157 4.7 16.6 1.0 HB2 A:LEU191 4.7 24.1 1.0 HD12 A:LEU140 4.8 28.8 1.0 N A:CYS193 4.8 18.1 1.0 CA A:LEU191 4.8 13.9 1.0 SG A:CYS196 4.8 17.5 1.0 C A:LEU191 4.8 18.0 1.0 HD13 A:LEU140 4.8 28.8 1.0 HE2 A:MET166 4.9 29.9 1.0 HB2 A:MET166 5.0 20.8 1.0 CE2 A:PHE185 5.0 23.7 1.0

J.Duan, A.Veliju, O.Lampret, L.Liu, S.Yadav, U.P.Apfel, F.A.Armstrong, A.Hemschemeier, E.Hofmann. Insights Into the Molecular Mechanism of Formaldehyde Inhibition of [Fefe]-Hydrogenases J.Am.Chem.Soc. 2023.
ISSN: ESSN 1520-5126
DOI: 10.1021/JACS.3C07800