Iron in PDB 1jqk: Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum

All present enzymatic activity of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum:
1.2.99.2;

The structure of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum, PDB code: 1jqk was solved by C.L.Drennan, J.Heo, M.D.Sintchak, E.Schreiter, P.W.Ludden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	92.600, 200.100, 116.800, 90.00, 111.50, 90.00
R / Rfree (%)	25.7 / 28.7

The structure of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum also contains other interesting chemical elements:

Nickel

(Ni)

6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum (pdb code 1jqk). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 60 binding sites of Iron where determined in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum, PDB code: 1jqk:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 60 in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:71.8 occ:1.00 SG A:CYS300 1.9 71.3 1.0 S3 A:WCC800 2.0 65.9 1.0 NE2 A:HIS265 2.0 69.4 1.0 SG A:CYS531 2.4 71.1 1.0 NI A:WCC800 2.6 68.9 1.0 CD2 A:HIS265 2.9 67.5 1.0 CE1 A:HIS265 3.0 70.8 1.0 CB A:CYS300 3.3 71.7 1.0 FE1 A:WCC800 3.7 67.4 1.0 CB A:CYS531 3.8 69.4 1.0 FE4 A:WCC800 3.9 68.5 1.0 CG A:HIS265 4.0 68.5 1.0 ND1 A:HIS265 4.0 73.4 1.0 UNK A:UNX802 4.1 68.2 1.0 S4 A:WCC800 4.1 66.0 1.0 N A:CYS300 4.3 72.6 1.0 S1 A:WCC800 4.3 68.7 1.0 CA A:CYS300 4.4 71.2 1.0 NZ A:LYS568 4.4 40.4 1.0 N A:CYS531 4.5 64.3 1.0 CA A:CYS531 4.7 65.2 1.0 SG A:CYS338 4.8 56.4 1.0 FE3 A:WCC800 5.0 68.2 1.0

Iron binding site 2 out of 60 in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe801 b:75.3 occ:1.00 SG B:CYS300 2.0 74.1 1.0 S3 B:WCC800 2.0 71.6 1.0 NE2 B:HIS265 2.0 72.8 1.0 SG B:CYS531 2.4 73.3 1.0 NI B:WCC800 2.5 70.7 1.0 CD2 B:HIS265 2.9 73.4 1.0 CE1 B:HIS265 3.0 74.2 1.0 CB B:CYS300 3.3 69.3 1.0 FE1 B:WCC800 3.7 66.9 1.0 CB B:CYS531 3.8 71.5 1.0 FE4 B:WCC800 3.9 69.5 1.0 CG B:HIS265 4.0 72.8 1.0 ND1 B:HIS265 4.0 74.3 1.0 UNK B:UNX802 4.1 69.0 1.0 S4 B:WCC800 4.1 66.9 1.0 N B:CYS300 4.3 70.5 1.0 S1 B:WCC800 4.3 65.8 1.0 NZ B:LYS568 4.4 49.4 1.0 CA B:CYS300 4.4 69.6 1.0 N B:CYS531 4.4 68.0 1.0 CA B:CYS531 4.7 69.3 1.0 SG B:CYS338 4.8 63.2 1.0 FE3 B:WCC800 5.0 67.1 1.0

Iron binding site 3 out of 60 in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe801 b:44.8 occ:1.00 SG C:CYS300 1.9 41.1 1.0 NE2 C:HIS265 1.9 42.2 1.0 S3 C:WCC800 2.0 41.3 1.0 SG C:CYS531 2.5 43.1 1.0 NI C:WCC800 2.6 41.7 1.0 CD2 C:HIS265 2.8 44.6 1.0 CE1 C:HIS265 2.9 40.7 1.0 CB C:CYS300 3.3 40.3 1.0 FE1 C:WCC800 3.7 35.5 1.0 CB C:CYS531 3.8 39.6 1.0 CG C:HIS265 3.9 43.3 1.0 FE4 C:WCC800 3.9 37.9 1.0 ND1 C:HIS265 3.9 42.2 1.0 S4 C:WCC800 4.1 38.3 1.0 UNK C:UNX802 4.1 38.6 1.0 N C:CYS300 4.3 41.7 1.0 S1 C:WCC800 4.3 37.3 1.0 CA C:CYS300 4.4 41.3 1.0 NZ C:LYS568 4.4 26.2 1.0 N C:CYS531 4.5 31.4 1.0 CA C:CYS531 4.8 32.4 1.0 SG C:CYS338 4.9 29.9 1.0 FE3 C:WCC800 4.9 40.5 1.0

Iron binding site 4 out of 60 in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe801 b:46.4 occ:1.00 SG D:CYS300 2.0 38.5 1.0 NE2 D:HIS265 2.0 43.7 1.0 S3 D:WCC800 2.1 43.8 1.0 SG D:CYS531 2.5 48.4 1.0 NI D:WCC800 2.7 49.3 1.0 CD2 D:HIS265 2.9 44.9 1.0 CE1 D:HIS265 3.0 41.2 1.0 CB D:CYS300 3.3 39.6 1.0 FE1 D:WCC800 3.8 43.3 1.0 CB D:CYS531 3.8 45.6 1.0 FE4 D:WCC800 3.9 46.2 1.0 CG D:HIS265 4.0 42.5 1.0 ND1 D:HIS265 4.0 39.1 1.0 UNK D:UNX802 4.1 48.2 1.0 S4 D:WCC800 4.1 45.9 1.0 N D:CYS300 4.3 40.6 1.0 S1 D:WCC800 4.3 45.4 1.0 CA D:CYS300 4.3 41.0 1.0 NZ D:LYS568 4.4 33.7 1.0 N D:CYS531 4.4 34.4 1.0 CA D:CYS531 4.7 40.4 1.0 SG D:CYS338 5.0 38.0 1.0 FE3 D:WCC800 5.0 44.5 1.0

Iron binding site 5 out of 60 in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe801 b:47.3 occ:1.00 S3 E:WCC800 2.0 40.6 1.0 SG E:CYS300 2.0 42.4 1.0 NE2 E:HIS265 2.1 46.4 1.0 SG E:CYS531 2.4 49.4 1.0 NI E:WCC800 2.6 49.0 1.0 CD2 E:HIS265 2.9 44.9 1.0 CE1 E:HIS265 3.0 48.2 1.0 CB E:CYS300 3.4 36.6 1.0 FE1 E:WCC800 3.7 43.6 1.0 CB E:CYS531 3.8 44.9 1.0 FE4 E:WCC800 3.9 46.2 1.0 CG E:HIS265 4.0 43.1 1.0 UNK E:UNX802 4.1 46.5 1.0 S4 E:WCC800 4.1 45.1 1.0 ND1 E:HIS265 4.1 45.3 1.0 S1 E:WCC800 4.2 44.1 1.0 N E:CYS300 4.3 33.5 1.0 NZ E:LYS568 4.4 28.7 1.0 N E:CYS531 4.4 34.2 1.0 CA E:CYS300 4.4 36.7 1.0 CA E:CYS531 4.7 38.3 1.0 SG E:CYS338 4.9 41.8 1.0 FE3 E:WCC800 4.9 45.8 1.0

Iron binding site 6 out of 60 in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe801 b:45.0 occ:1.00 NE2 F:HIS265 2.0 45.5 1.0 SG F:CYS300 2.0 39.2 1.0 S3 F:WCC800 2.1 45.9 1.0 SG F:CYS531 2.4 48.7 1.0 NI F:WCC800 2.5 48.3 1.0 CD2 F:HIS265 2.8 44.6 1.0 CE1 F:HIS265 3.0 44.6 1.0 CB F:CYS300 3.4 37.8 1.0 FE1 F:WCC800 3.7 43.8 1.0 CB F:CYS531 3.7 42.4 1.0 FE4 F:WCC800 3.9 43.5 1.0 CG F:HIS265 3.9 39.7 1.0 ND1 F:HIS265 4.0 39.2 1.0 UNK F:UNX802 4.0 43.0 1.0 S4 F:WCC800 4.1 41.2 1.0 NZ F:LYS568 4.3 20.9 1.0 S1 F:WCC800 4.3 44.1 1.0 N F:CYS300 4.4 42.5 1.0 N F:CYS531 4.4 34.8 1.0 CA F:CYS300 4.5 39.9 1.0 CA F:CYS531 4.7 34.7 1.0 SG F:CYS338 4.9 35.5 1.0 CE F:LYS568 4.9 17.2 1.0 FE3 F:WCC800 5.0 45.4 1.0

Iron binding site 7 out of 60 in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:40.2 occ:1.00 FE1 A:SF4700 0.0 40.2 1.0 SG B:CYS49 2.2 40.9 1.0 S2 A:SF4700 2.2 43.0 1.0 S4 A:SF4700 2.3 42.6 1.0 S3 A:SF4700 2.3 43.2 1.0 FE3 A:SF4700 2.7 38.6 1.0 FE4 A:SF4700 2.7 42.9 1.0 FE2 A:SF4700 2.7 43.9 1.0 CB B:CYS49 3.2 46.5 1.0 S1 A:SF4700 3.9 43.1 1.0 CA B:CYS49 4.6 46.5 1.0 SG A:CYS49 4.7 42.4 1.0 SG A:CYS41 4.7 46.7 1.0 SG B:CYS41 4.8 48.2 1.0 CD B:ARG51 4.9 33.0 1.0 CB A:CYS41 4.9 46.1 1.0

Iron binding site 8 out of 60 in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:43.9 occ:1.00 FE2 A:SF4700 0.0 43.9 1.0 S1 A:SF4700 2.2 43.1 1.0 S3 A:SF4700 2.3 43.2 1.0 SG A:CYS41 2.3 46.7 1.0 S4 A:SF4700 2.3 42.6 1.0 FE4 A:SF4700 2.7 42.9 1.0 FE3 A:SF4700 2.7 38.6 1.0 FE1 A:SF4700 2.7 40.2 1.0 CB A:CYS41 3.3 46.1 1.0 S2 A:SF4700 3.9 43.0 1.0 N A:GLY44 4.2 48.8 1.0 CB A:PHE43 4.3 51.5 1.0 SG A:CYS49 4.7 42.4 1.0 SG B:CYS41 4.7 48.2 1.0 CA A:CYS41 4.7 48.7 1.0 CA A:GLY44 4.7 45.9 1.0 SG B:CYS49 4.7 40.9 1.0 CB A:CYS49 4.8 45.0 1.0

Iron binding site 9 out of 60 in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:38.6 occ:1.00 FE3 A:SF4700 0.0 38.6 1.0 SG A:CYS49 2.2 42.4 1.0 S4 A:SF4700 2.2 42.6 1.0 S2 A:SF4700 2.3 43.0 1.0 S1 A:SF4700 2.3 43.1 1.0 FE1 A:SF4700 2.7 40.2 1.0 FE2 A:SF4700 2.7 43.9 1.0 FE4 A:SF4700 2.7 42.9 1.0 CB A:CYS49 3.2 45.0 1.0 S3 A:SF4700 3.9 43.2 1.0 CA A:CYS49 4.6 44.1 1.0 SG B:CYS49 4.7 40.9 1.0 SG B:CYS41 4.7 48.2 1.0 SG A:CYS41 4.8 46.7 1.0 CD A:ARG51 4.9 36.3 1.0 CB B:CYS41 4.9 48.4 1.0

Iron binding site 10 out of 60 in the Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of Carbon Monoxide Dehydrogenase From Rhodospirillum Rubrum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:42.9 occ:1.00 FE4 A:SF4700 0.0 42.9 1.0 S3 A:SF4700 2.3 43.2 1.0 S1 A:SF4700 2.3 43.1 1.0 SG B:CYS41 2.3 48.2 1.0 S2 A:SF4700 2.3 43.0 1.0 FE2 A:SF4700 2.7 43.9 1.0 FE1 A:SF4700 2.7 40.2 1.0 FE3 A:SF4700 2.7 38.6 1.0 CB B:CYS41 3.3 48.4 1.0 S4 A:SF4700 3.8 42.6 1.0 N B:GLY44 4.2 53.2 1.0 CB B:PHE43 4.3 54.0 1.0 SG B:CYS49 4.6 40.9 1.0 CA B:GLY44 4.7 52.0 1.0 SG A:CYS41 4.7 46.7 1.0 SG A:CYS49 4.7 42.4 1.0 CA B:CYS41 4.7 50.7 1.0 CB B:CYS49 4.8 46.5 1.0 C B:PHE43 5.0 52.8 1.0

C.L.Drennan, J.Heo, M.D.Sintchak, E.Schreiter, P.W.Ludden. Life on Carbon Monoxide: X-Ray Structure of Rhodospirillum Rubrum Ni-Fe-S Carbon Monoxide Dehydrogenase. Proc.Natl.Acad.Sci.Usa V. 98 11973 2001.
ISSN: ISSN 0027-8424
PubMed: 11593006
DOI: 10.1073/PNAS.211429998