Iron in PDB 1c4a: Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) From Clostridium Pasteurianum

All present enzymatic activity of Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) From Clostridium Pasteurianum:
1.18.99.1;

The structure of Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) From Clostridium Pasteurianum, PDB code: 1c4a was solved by B.J.Lemon, J.W.Peters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.40
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	133.700, 84.000, 55.700, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 25.4

Pages:

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

Binding sites:

The binding sites of Iron atom in the Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) From Clostridium Pasteurianum (pdb code 1c4a). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 20 binding sites of Iron where determined in the Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) From Clostridium Pasteurianum, PDB code: 1c4a:
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 Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) 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 Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe580 b:18.0 occ:1.00 FE1 A:HC1580 0.0 18.0 1.0 C3 A:HC1580 1.8 18.8 1.0 C4 A:HC1580 1.8 18.4 1.0 C5 A:HC1580 2.1 22.1 1.0 S1 A:HC1580 2.3 20.5 1.0 S2 A:HC1580 2.4 23.2 1.0 SG A:CYS503 2.4 13.5 1.0 FE2 A:HC1580 2.6 20.4 1.0 O3 A:HC1580 2.9 22.4 1.0 O4 A:HC1580 3.0 15.8 1.0 O5 A:HC1580 3.1 25.6 1.0 CB A:CYS503 3.3 16.4 1.0 O1 A:HC1580 3.8 20.6 1.0 C6 A:HC1580 3.8 22.7 1.0 C7 A:HC1580 3.9 21.4 1.0 FE4 A:SF4581 4.1 15.1 1.0 S2 A:SF4581 4.3 10.6 1.0 CG A:PRO354 4.7 9.4 1.0 O2 A:HC1580 4.8 28.0 1.0 CA A:CYS503 4.8 15.2 1.0 O6 A:HC1580 4.8 21.4 1.0 CG A:PRO231 4.8 15.2 1.0 O7 A:HC1580 4.8 19.9 1.0 CE A:LYS358 4.8 8.2 1.0 CA A:GLY418 5.0 14.1 1.0

Iron binding site 2 out of 20 in the Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) 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 Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe580 b:20.4 occ:1.00 FE2 A:HC1580 0.0 20.4 1.0 C7 A:HC1580 1.8 21.4 1.0 C6 A:HC1580 1.8 22.7 1.0 C5 A:HC1580 2.1 22.1 1.0 S2 A:HC1580 2.3 23.2 1.0 S1 A:HC1580 2.3 20.5 1.0 FE1 A:HC1580 2.6 18.0 1.0 O2 A:HC1580 2.7 28.0 1.0 O7 A:HC1580 3.0 19.9 1.0 O6 A:HC1580 3.0 21.4 1.0 O5 A:HC1580 3.1 25.6 1.0 O1 A:HC1580 3.5 20.6 1.0 C4 A:HC1580 3.8 18.4 1.0 C3 A:HC1580 3.9 18.8 1.0 CD2 A:PHE417 4.2 15.2 1.0 CG A:PRO324 4.2 10.1 1.0 CD A:PRO324 4.4 10.0 1.0 CB A:PRO324 4.4 9.4 1.0 SG A:CYS503 4.5 13.5 1.0 NZ A:LYS358 4.6 9.2 1.0 O4 A:HC1580 4.8 15.8 1.0 O A:CYS299 4.8 7.8 1.0 O3 A:HC1580 4.8 22.4 1.0 CG A:PRO231 4.8 15.2 1.0 CE A:LYS358 4.8 8.2 1.0 CE2 A:PHE417 4.9 18.1 1.0 CD A:PRO231 4.9 12.4 1.0 CB A:PHE417 5.0 15.6 1.0

Iron binding site 3 out of 20 in the Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) 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 Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe581 b:12.4 occ:1.00 FE1 A:SF4581 0.0 12.4 1.0 SG A:CYS355 2.2 10.9 1.0 S2 A:SF4581 2.3 10.6 1.0 S3 A:SF4581 2.3 8.7 1.0 S4 A:SF4581 2.3 11.0 1.0 FE2 A:SF4581 2.7 13.6 1.0 FE4 A:SF4581 2.7 15.1 1.0 FE3 A:SF4581 2.7 12.1 1.0 CB A:CYS355 3.2 8.5 1.0 S1 A:SF4581 3.9 10.5 1.0 O3 A:HC1580 4.1 22.4 1.0 CA A:CYS355 4.3 11.6 1.0 CB A:SER357 4.5 11.1 1.0 C3 A:HC1580 4.5 18.8 1.0 CG A:PRO301 4.6 7.2 1.0 SG A:CYS499 4.7 9.9 1.0 CD A:PRO301 4.7 8.0 1.0 SG A:CYS503 4.7 13.5 1.0 SG A:CYS300 4.8 8.6 1.0 CE A:LYS358 5.0 8.2 1.0 CG A:LYS358 5.0 10.9 1.0

Iron binding site 4 out of 20 in the Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) 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 Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe581 b:13.6 occ:1.00 FE2 A:SF4581 0.0 13.6 1.0 SG A:CYS499 2.3 9.9 1.0 S1 A:SF4581 2.3 10.5 1.0 S4 A:SF4581 2.3 11.0 1.0 S3 A:SF4581 2.3 8.7 1.0 FE1 A:SF4581 2.7 12.4 1.0 FE3 A:SF4581 2.7 12.1 1.0 FE4 A:SF4581 2.7 15.1 1.0 CB A:CYS499 3.3 11.9 1.0 N A:CYS499 3.8 14.2 1.0 S2 A:SF4581 3.9 10.6 1.0 CA A:GLY506 4.1 13.3 1.0 CA A:CYS499 4.2 12.4 1.0 SG A:CYS355 4.6 10.9 1.0 CB A:ALA498 4.6 14.2 1.0 C A:ALA498 4.6 13.3 1.0 SG A:CYS300 4.7 8.6 1.0 CA A:CYS503 4.8 15.2 1.0 N A:GLY507 4.9 11.7 1.0 O A:GLY502 4.9 16.5 1.0 N A:ALA498 4.9 14.9 1.0 O A:CYS193 4.9 16.4 1.0 SG A:CYS503 4.9 13.5 1.0 N A:GLY506 4.9 13.2 1.0 CA A:ALA498 4.9 15.2 1.0

Iron binding site 5 out of 20 in the Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) 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 Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe581 b:12.1 occ:1.00 FE3 A:SF4581 0.0 12.1 1.0 SG A:CYS300 2.3 8.6 1.0 S4 A:SF4581 2.3 11.0 1.0 S1 A:SF4581 2.3 10.5 1.0 S2 A:SF4581 2.3 10.6 1.0 FE2 A:SF4581 2.7 13.6 1.0 FE1 A:SF4581 2.7 12.4 1.0 FE4 A:SF4581 2.7 15.1 1.0 CB A:CYS300 3.4 7.4 1.0 CA A:CYS300 3.9 6.3 1.0 S3 A:SF4581 3.9 8.7 1.0 N A:ALA498 4.0 14.9 1.0 CB A:ALA498 4.1 14.2 1.0 N A:GLY302 4.4 11.1 1.0 C A:CYS300 4.4 10.4 1.0 CD A:PRO301 4.5 8.0 1.0 N A:PRO301 4.6 9.5 1.0 CA A:ALA498 4.6 15.2 1.0 SG A:CYS499 4.7 9.9 1.0 N A:CYS499 4.7 14.2 1.0 SD A:MET497 4.7 12.9 1.0 SG A:CYS503 4.7 13.5 1.0 SG A:CYS355 4.8 10.9 1.0 CA A:GLY302 4.8 10.1 1.0 C A:MET497 5.0 15.6 1.0 CA A:MET497 5.0 14.2 1.0

Iron binding site 6 out of 20 in the Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) 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 Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe581 b:15.1 occ:1.00 FE4 A:SF4581 0.0 15.1 1.0 S3 A:SF4581 2.3 8.7 1.0 S2 A:SF4581 2.3 10.6 1.0 S1 A:SF4581 2.3 10.5 1.0 SG A:CYS503 2.4 13.5 1.0 FE1 A:SF4581 2.7 12.4 1.0 FE3 A:SF4581 2.7 12.1 1.0 FE2 A:SF4581 2.7 13.6 1.0 CB A:CYS503 3.4 16.4 1.0 CA A:CYS503 3.5 15.2 1.0 C3 A:HC1580 3.7 18.8 1.0 O3 A:HC1580 3.9 22.4 1.0 S4 A:SF4581 3.9 11.0 1.0 N A:CYS503 4.0 15.9 1.0 FE1 A:HC1580 4.1 18.0 1.0 S2 A:HC1580 4.2 23.2 1.0 SG A:CYS355 4.7 10.9 1.0 C A:GLY502 4.7 18.2 1.0 SG A:CYS300 4.7 8.6 1.0 SD A:MET497 4.8 12.9 1.0 SG A:CYS499 4.8 9.9 1.0 C A:CYS503 4.8 11.4 1.0 O1 A:HC1580 4.8 20.6 1.0 CB A:CYS355 4.9 8.5 1.0 O A:GLY502 5.0 16.5 1.0 O A:CYS503 5.0 10.5 1.0

Iron binding site 7 out of 20 in the Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) 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 Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe582 b:12.6 occ:1.00 FE1 A:SF4582 0.0 12.6 1.0 SG A:CYS193 2.2 15.0 1.0 S2 A:SF4582 2.3 13.5 1.0 S4 A:SF4582 2.3 13.7 1.0 S3 A:SF4582 2.4 16.2 1.0 FE3 A:SF4582 2.7 17.1 1.0 FE2 A:SF4582 2.8 13.5 1.0 FE4 A:SF4582 2.8 17.2 1.0 CB A:CYS193 3.6 15.2 1.0 N A:CYS193 3.7 14.1 1.0 N A:GLY194 3.8 14.5 1.0 S1 A:SF4582 4.0 13.1 1.0 CA A:CYS193 4.0 12.9 1.0 CG2 A:THR161 4.1 3.3 1.0 N A:GLN195 4.3 8.9 1.0 C A:CYS193 4.3 12.4 1.0 N A:LEU192 4.5 10.7 1.0 C A:LEU192 4.6 12.3 1.0 SG A:CYS196 4.7 12.6 1.0 CA A:GLY194 4.7 10.7 1.0 SG A:CYS190 4.8 13.5 1.0 N A:LEU191 4.8 15.8 1.0 CA A:LEU192 4.8 10.4 1.0 SG A:CYS157 4.8 14.7 1.0 CB A:GLN195 4.9 11.5 1.0 CB A:LEU191 5.0 13.3 1.0 C A:GLY194 5.0 9.9 1.0 N A:CYS196 5.0 13.8 1.0

Iron binding site 8 out of 20 in the Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) 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 Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe582 b:13.5 occ:1.00 FE2 A:SF4582 0.0 13.5 1.0 SG A:CYS157 2.3 14.7 1.0 S1 A:SF4582 2.3 13.1 1.0 S4 A:SF4582 2.3 13.7 1.0 S3 A:SF4582 2.3 16.2 1.0 FE4 A:SF4582 2.7 17.2 1.0 FE3 A:SF4582 2.7 17.1 1.0 FE1 A:SF4582 2.8 12.6 1.0 CB A:CYS157 3.2 11.3 1.0 S2 A:SF4582 3.9 13.5 1.0 CA A:CYS157 4.0 14.6 1.0 CB A:ALA165 4.1 10.6 1.0 OG1 A:THR161 4.2 6.3 1.0 OG1 A:THR163 4.3 13.3 1.0 N A:MET166 4.3 15.8 1.0 CG2 A:THR161 4.5 3.3 1.0 CB A:MET166 4.6 16.6 1.0 N A:ALA165 4.7 15.8 1.0 SG A:CYS193 4.8 15.0 1.0 CA A:ALA165 4.8 16.6 1.0 SG A:CYS196 4.8 12.6 1.0 C A:ALA165 4.8 14.4 1.0 C A:CYS157 4.9 15.5 1.0 SG A:CYS190 4.9 13.5 1.0 O A:CYS157 4.9 14.4 1.0

Iron binding site 9 out of 20 in the Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) 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 Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe582 b:17.1 occ:1.00 FE3 A:SF4582 0.0 17.1 1.0 S2 A:SF4582 2.3 13.5 1.0 SG A:CYS196 2.3 12.6 1.0 S4 A:SF4582 2.3 13.7 1.0 S1 A:SF4582 2.3 13.1 1.0 FE4 A:SF4582 2.7 17.2 1.0 FE2 A:SF4582 2.7 13.5 1.0 FE1 A:SF4582 2.7 12.6 1.0 CB A:CYS196 3.3 14.0 1.0 S3 A:SF4582 3.9 16.2 1.0 N A:CYS196 4.0 13.8 1.0 CD2 A:LEU140 4.2 22.9 1.0 CA A:CYS196 4.3 13.9 1.0 N A:GLY194 4.5 14.5 1.0 SG A:CYS190 4.6 13.5 1.0 N A:GLN195 4.6 8.9 1.0 CE A:MET166 4.6 9.6 1.0 SG A:CYS193 4.7 15.0 1.0 SG A:CYS157 4.7 14.7 1.0 CA A:GLY194 4.8 10.7 1.0 CB A:CYS157 4.9 11.3 1.0 C A:GLY194 4.9 9.9 1.0 CB A:MET166 4.9 16.6 1.0

Iron binding site 10 out of 20 in the Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) 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 Binding of Exogenously Added Carbon Monoxide at the Active Site of the Fe-Only Hydrogenase (Cpi) From Clostridium Pasteurianum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe582 b:17.2 occ:1.00 FE4 A:SF4582 0.0 17.2 1.0 SG A:CYS190 2.3 13.5 1.0 S1 A:SF4582 2.3 13.1 1.0 S2 A:SF4582 2.4 13.5 1.0 S3 A:SF4582 2.4 16.2 1.0 FE3 A:SF4582 2.7 17.1 1.0 FE2 A:SF4582 2.7 13.5 1.0 FE1 A:SF4582 2.8 12.6 1.0 CB A:CYS190 3.4 14.2 1.0 CA A:CYS190 3.8 14.3 1.0 N A:LEU191 3.8 15.8 1.0 N A:LEU192 3.9 10.7 1.0 S4 A:SF4582 3.9 13.7 1.0 CB A:ALA165 4.2 10.6 1.0 C A:CYS190 4.2 14.9 1.0 CA A:LEU192 4.4 10.4 1.0 CD2 A:LEU140 4.6 22.9 1.0 N A:CYS193 4.7 14.1 1.0 CD2 A:PHE185 4.8 9.8 1.0 SG A:CYS196 4.8 12.6 1.0 SG A:CYS157 4.8 14.7 1.0 CA A:LEU191 4.8 12.3 1.0 C A:LEU191 4.8 11.2 1.0 SG A:CYS193 4.9 15.0 1.0

B.J.Lemon, J.W.Peters. Binding of Exogenously Added Carbon Monoxide at the Active Site of the Iron-Only Hydrogenase (Cpi) From Clostridium Pasteurianum. Biochemistry V. 38 12969 1999.
ISSN: ISSN 0006-2960
PubMed: 10529166
DOI: 10.1021/BI9913193