Iron in PDB 1feh: Fe-Only Hydrogenase From Clostridium Pasteurianum

All present enzymatic activity of Fe-Only Hydrogenase From Clostridium Pasteurianum:
1.18.99.1;

The structure of Fe-Only Hydrogenase From Clostridium Pasteurianum, PDB code: 1feh was solved by J.W.Peters, W.N.Lanzilotta, B.J.Lemon, L.C.Seefeldt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.80
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	111.600, 111.600, 103.800, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 23.5

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Iron atom in the Fe-Only Hydrogenase From Clostridium Pasteurianum (pdb code 1feh). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 20 binding sites of Iron where determined in the Fe-Only Hydrogenase From Clostridium Pasteurianum, PDB code: 1feh:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 20 in the Fe-Only Hydrogenase From Clostridium Pasteurianum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Fe-Only Hydrogenase From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe580 b:10.9 occ:1.00 FE1 A:HC1580 0.0 10.9 1.0 C4 A:HC1580 1.8 11.0 1.0 C3 A:HC1580 1.9 10.5 1.0 C5 A:HC1580 2.1 10.1 1.0 S2 A:HC1580 2.3 9.7 1.0 S1 A:HC1580 2.3 11.0 1.0 SG A:CYS503 2.4 8.1 1.0 FE2 A:HC1580 2.6 13.0 1.0 O4 A:HC1580 2.9 12.2 1.0 O3 A:HC1580 3.0 9.6 1.0 O5 A:HC1580 3.1 9.7 1.0 CB A:CYS503 3.4 8.0 1.0 O1 A:HC1580 3.7 13.4 1.0 C6 A:HC1580 3.8 9.6 1.0 C7 A:HC1580 3.9 10.6 1.0 FE4 A:SF4581 4.0 9.1 1.0 S2 A:SF4581 4.2 8.8 1.0 CG A:PRO354 4.7 7.2 1.0 O2 A:HC1580 4.7 15.0 1.0 O6 A:HC1580 4.7 7.5 1.0 CE A:LYS358 4.8 5.5 1.0 CA A:CYS503 4.8 8.3 1.0 O7 A:HC1580 4.9 9.9 1.0 CD A:PRO354 5.0 8.2 1.0 CD A:PRO231 5.0 6.0 1.0

Iron binding site 2 out of 20 in the Fe-Only Hydrogenase From Clostridium Pasteurianum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Fe-Only Hydrogenase From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe580 b:13.0 occ:1.00 FE2 A:HC1580 0.0 13.0 1.0 C7 A:HC1580 1.8 10.6 1.0 C6 A:HC1580 1.9 9.6 1.0 C5 A:HC1580 2.0 10.1 1.0 S1 A:HC1580 2.3 11.0 1.0 S2 A:HC1580 2.3 9.7 1.0 O2 A:HC1580 2.5 15.0 1.0 FE1 A:HC1580 2.6 10.9 1.0 O5 A:HC1580 3.0 9.7 1.0 O7 A:HC1580 3.0 9.9 1.0 O6 A:HC1580 3.0 7.5 1.0 O1 A:HC1580 3.5 13.4 1.0 C4 A:HC1580 3.7 11.0 1.0 C3 A:HC1580 3.9 10.5 1.0 CG A:PRO324 4.1 5.8 1.0 CD A:PRO324 4.3 6.1 1.0 CD2 A:PHE417 4.3 11.1 1.0 CB A:PRO324 4.4 6.0 1.0 O4 A:HC1580 4.6 12.2 1.0 SG A:CYS503 4.6 8.1 1.0 NZ A:LYS358 4.7 4.0 1.0 CE A:LYS358 4.8 5.5 1.0 CD A:PRO231 4.8 6.0 1.0 O3 A:HC1580 4.9 9.6 1.0 O A:CYS299 5.0 8.0 1.0

Iron binding site 3 out of 20 in the Fe-Only Hydrogenase From Clostridium Pasteurianum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Fe-Only Hydrogenase From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe581 b:8.6 occ:1.00 FE1 A:SF4581 0.0 8.6 1.0 S3 A:SF4581 2.3 10.2 1.0 S2 A:SF4581 2.3 8.8 1.0 SG A:CYS355 2.3 8.8 1.0 S4 A:SF4581 2.3 8.9 1.0 FE4 A:SF4581 2.7 9.1 1.0 FE2 A:SF4581 2.7 8.9 1.0 FE3 A:SF4581 2.7 10.2 1.0 CB A:CYS355 3.2 7.4 1.0 O A:HOH1226 3.6 9.1 1.0 S1 A:SF4581 3.9 9.4 1.0 O3 A:HC1580 4.0 9.6 1.0 CA A:CYS355 4.4 5.6 1.0 C3 A:HC1580 4.4 10.5 1.0 CB A:SER357 4.5 7.3 1.0 SG A:CYS503 4.7 8.1 1.0 SG A:CYS499 4.7 7.8 1.0 SG A:CYS300 4.8 6.8 1.0 CD A:PRO301 4.8 4.0 1.0 CG A:PRO301 4.8 5.2 1.0 CG A:LYS358 4.8 5.4 1.0

Iron binding site 4 out of 20 in the Fe-Only Hydrogenase From Clostridium Pasteurianum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Fe-Only Hydrogenase From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe581 b:8.9 occ:1.00 FE2 A:SF4581 0.0 8.9 1.0 SG A:CYS499 2.3 7.8 1.0 S1 A:SF4581 2.3 9.4 1.0 S3 A:SF4581 2.3 10.2 1.0 S4 A:SF4581 2.3 8.9 1.0 FE1 A:SF4581 2.7 8.6 1.0 FE3 A:SF4581 2.7 10.2 1.0 FE4 A:SF4581 2.8 9.1 1.0 CB A:CYS499 3.2 6.6 1.0 N A:CYS499 3.8 6.1 1.0 S2 A:SF4581 3.9 8.8 1.0 O A:HOH1226 4.0 9.1 1.0 CA A:CYS499 4.1 8.9 1.0 CA A:GLY506 4.4 7.0 1.0 SG A:CYS355 4.6 8.8 1.0 C A:ALA498 4.6 5.6 1.0 CB A:ALA498 4.7 5.8 1.0 SG A:CYS300 4.7 6.8 1.0 CA A:CYS503 4.8 8.3 1.0 N A:ALA498 4.9 8.3 1.0 SG A:CYS503 4.9 8.1 1.0 O A:GLY502 5.0 5.9 1.0 CA A:ALA498 5.0 6.2 1.0 O A:CYS193 5.0 5.3 1.0

Iron binding site 5 out of 20 in the Fe-Only Hydrogenase From Clostridium Pasteurianum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Fe-Only Hydrogenase From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe581 b:10.2 occ:1.00 FE3 A:SF4581 0.0 10.2 1.0 SG A:CYS300 2.3 6.8 1.0 S2 A:SF4581 2.3 8.8 1.0 S4 A:SF4581 2.3 8.9 1.0 S1 A:SF4581 2.3 9.4 1.0 FE4 A:SF4581 2.7 9.1 1.0 FE1 A:SF4581 2.7 8.6 1.0 FE2 A:SF4581 2.7 8.9 1.0 CB A:CYS300 3.3 8.3 1.0 S3 A:SF4581 3.9 10.2 1.0 CA A:CYS300 3.9 8.0 1.0 N A:ALA498 4.1 8.3 1.0 CB A:ALA498 4.2 5.8 1.0 N A:GLY302 4.4 9.1 1.0 C A:CYS300 4.5 6.6 1.0 CD A:PRO301 4.6 4.0 1.0 N A:PRO301 4.7 6.3 1.0 CA A:ALA498 4.7 6.2 1.0 N A:CYS499 4.7 6.1 1.0 SG A:CYS503 4.7 8.1 1.0 SG A:CYS499 4.7 7.8 1.0 SD A:MET497 4.9 12.7 1.0 SG A:CYS355 4.9 8.8 1.0 CA A:GLY302 4.9 7.8 1.0

Iron binding site 6 out of 20 in the Fe-Only Hydrogenase From Clostridium Pasteurianum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Fe-Only Hydrogenase From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe581 b:9.1 occ:1.00 FE4 A:SF4581 0.0 9.1 1.0 S2 A:SF4581 2.3 8.8 1.0 SG A:CYS503 2.3 8.1 1.0 S3 A:SF4581 2.3 10.2 1.0 S1 A:SF4581 2.3 9.4 1.0 FE1 A:SF4581 2.7 8.6 1.0 FE3 A:SF4581 2.7 10.2 1.0 FE2 A:SF4581 2.8 8.9 1.0 CB A:CYS503 3.3 8.0 1.0 CA A:CYS503 3.5 8.3 1.0 C3 A:HC1580 3.7 10.5 1.0 O3 A:HC1580 3.9 9.6 1.0 S4 A:SF4581 3.9 8.9 1.0 N A:CYS503 4.0 6.8 1.0 FE1 A:HC1580 4.0 10.9 1.0 S2 A:HC1580 4.2 9.7 1.0 C A:GLY502 4.7 6.3 1.0 SG A:CYS355 4.7 8.8 1.0 SG A:CYS300 4.8 6.8 1.0 SD A:MET497 4.8 12.7 1.0 C A:CYS503 4.8 7.3 1.0 CB A:CYS355 4.8 7.4 1.0 SG A:CYS499 4.9 7.8 1.0 O1 A:HC1580 4.9 13.4 1.0 C4 A:HC1580 5.0 11.0 1.0

Iron binding site 7 out of 20 in the Fe-Only Hydrogenase From Clostridium Pasteurianum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Fe-Only Hydrogenase From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe582 b:9.5 occ:1.00 FE1 A:SF4582 0.0 9.5 1.0 S2 A:SF4582 2.3 7.8 1.0 S4 A:SF4582 2.3 8.9 1.0 SG A:CYS193 2.3 8.1 1.0 S3 A:SF4582 2.4 6.9 1.0 FE3 A:SF4582 2.8 8.9 1.0 FE2 A:SF4582 2.8 9.6 1.0 FE4 A:SF4582 2.8 9.2 1.0 N A:CYS193 3.7 7.3 1.0 CB A:CYS193 3.7 7.0 1.0 N A:GLY194 3.9 7.2 1.0 S1 A:SF4582 4.0 10.5 1.0 CA A:CYS193 4.1 6.1 1.0 CG2 A:THR161 4.2 7.1 1.0 N A:GLN195 4.2 9.0 1.0 C A:CYS193 4.3 6.7 1.0 N A:LEU192 4.4 7.3 1.0 C A:LEU192 4.7 7.5 1.0 SG A:CYS190 4.7 8.1 1.0 SG A:CYS196 4.8 7.8 1.0 N A:LEU191 4.8 8.5 1.0 CA A:GLY194 4.8 6.9 1.0 CA A:LEU192 4.8 5.3 1.0 CB A:LEU191 4.8 5.9 1.0 CB A:GLN195 4.8 10.4 1.0 SG A:CYS157 4.8 7.2 1.0 C A:GLY194 5.0 6.4 1.0 N A:CYS196 5.0 6.5 1.0 C A:LEU191 5.0 6.7 1.0

Iron binding site 8 out of 20 in the Fe-Only Hydrogenase From Clostridium Pasteurianum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Fe-Only Hydrogenase From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe582 b:9.6 occ:1.00 FE2 A:SF4582 0.0 9.6 1.0 SG A:CYS157 2.3 7.2 1.0 S1 A:SF4582 2.3 10.5 1.0 S4 A:SF4582 2.3 8.9 1.0 S3 A:SF4582 2.3 6.9 1.0 FE4 A:SF4582 2.7 9.2 1.0 FE3 A:SF4582 2.7 8.9 1.0 FE1 A:SF4582 2.8 9.5 1.0 CB A:CYS157 3.2 6.1 1.0 S2 A:SF4582 3.9 7.8 1.0 CA A:CYS157 4.0 7.0 1.0 CB A:ALA165 4.0 8.5 1.0 OG1 A:THR163 4.2 8.3 1.0 OG1 A:THR161 4.3 8.0 1.0 N A:MET166 4.4 8.9 1.0 N A:ALA165 4.6 9.9 1.0 CG2 A:THR161 4.6 7.1 1.0 CB A:MET166 4.6 8.4 1.0 CA A:ALA165 4.7 8.7 1.0 C A:ALA165 4.8 9.1 1.0 C A:CYS157 4.8 6.7 1.0 SG A:CYS193 4.8 8.1 1.0 SG A:CYS196 4.8 7.8 1.0 O A:CYS157 4.9 8.7 1.0 SG A:CYS190 4.9 8.1 1.0

Iron binding site 9 out of 20 in the Fe-Only Hydrogenase From Clostridium Pasteurianum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Fe-Only Hydrogenase From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe582 b:8.9 occ:1.00 FE3 A:SF4582 0.0 8.9 1.0 SG A:CYS196 2.3 7.8 1.0 S1 A:SF4582 2.3 10.5 1.0 S2 A:SF4582 2.3 7.8 1.0 S4 A:SF4582 2.3 8.9 1.0 FE4 A:SF4582 2.7 9.2 1.0 FE2 A:SF4582 2.7 9.6 1.0 FE1 A:SF4582 2.8 9.5 1.0 CB A:CYS196 3.3 3.9 1.0 N A:CYS196 3.9 6.5 1.0 S3 A:SF4582 4.0 6.9 1.0 CA A:CYS196 4.2 7.3 1.0 CD1 A:LEU140 4.3 17.2 1.0 N A:GLN195 4.5 9.0 1.0 N A:GLY194 4.5 7.2 1.0 CE A:MET166 4.5 7.3 1.0 SG A:CYS190 4.7 8.1 1.0 CA A:GLY194 4.7 6.9 1.0 SG A:CYS193 4.7 8.1 1.0 SG A:CYS157 4.7 7.2 1.0 C A:GLY194 4.8 6.4 1.0 CB A:CYS157 4.9 6.1 1.0 C A:GLN195 5.0 8.1 1.0

Iron binding site 10 out of 20 in the Fe-Only Hydrogenase From Clostridium Pasteurianum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Fe-Only Hydrogenase From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe582 b:9.2 occ:1.00 FE4 A:SF4582 0.0 9.2 1.0 S1 A:SF4582 2.3 10.5 1.0 SG A:CYS190 2.3 8.1 1.0 S2 A:SF4582 2.3 7.8 1.0 S3 A:SF4582 2.4 6.9 1.0 FE2 A:SF4582 2.7 9.6 1.0 FE3 A:SF4582 2.7 8.9 1.0 FE1 A:SF4582 2.8 9.5 1.0 CB A:CYS190 3.4 8.1 1.0 CA A:CYS190 3.8 8.4 1.0 N A:LEU191 3.9 8.5 1.0 S4 A:SF4582 3.9 8.9 1.0 N A:LEU192 4.0 7.3 1.0 CB A:ALA165 4.0 8.5 1.0 C A:CYS190 4.3 7.7 1.0 CA A:LEU192 4.5 5.3 1.0 CD2 A:PHE185 4.6 7.6 1.0 CD1 A:LEU140 4.7 17.2 1.0 SG A:CYS157 4.8 7.2 1.0 SG A:CYS196 4.8 7.8 1.0 N A:CYS193 4.9 7.3 1.0 CA A:LEU191 4.9 6.1 1.0 C A:LEU191 4.9 6.7 1.0

J.W.Peters, W.N.Lanzilotta, B.J.Lemon, L.C.Seefeldt. X-Ray Crystal Structure of the Fe-Only Hydrogenase (Cpi) From Clostridium Pasteurianum to 1.8 Angstrom Resolution. Science V. 282 1853 1998.
ISSN: ISSN 0036-8075
PubMed: 9836629
DOI: 10.1126/SCIENCE.282.5395.1853