Iron in PDB 6t7j: As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase

All present enzymatic activity of As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase:
1.2.7.4;

The structure of As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase, PDB code: 6t7j was solved by H.Dobbek, J.-H.Jeoung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.32 / 2.43
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	268.138, 64.061, 100.600, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30;

Binding sites:

The binding sites of Iron atom in the As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase (pdb code 6t7j). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 30 binding sites of Iron where determined in the As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase, PDB code: 6t7j:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 30 in the As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:44.7 occ:0.93 FE1 B:SF4701 0.0 44.7 0.9 S2 B:SF4701 2.3 40.0 0.9 S3 B:SF4701 2.3 43.6 0.9 SG B:CYS77 2.3 51.2 1.0 S4 B:SF4701 2.3 40.6 0.9 FE4 B:SF4701 2.6 44.0 0.9 FE2 B:SF4701 2.7 43.4 0.9 FE3 B:SF4701 2.8 42.8 0.9 CB B:CYS77 2.9 42.9 1.0 N B:CYS77 3.8 49.4 1.0 S1 B:SF4701 3.9 41.9 0.9 CA B:CYS77 3.9 46.3 1.0 NH2 B:ARG87 4.1 44.7 1.0 CD1 B:ILE206 4.2 55.2 1.0 O B:HOH823 4.2 36.0 1.0 CB B:ALA79 4.4 43.1 1.0 CG1 B:ILE206 4.6 43.3 1.0 SG B:CYS58 4.7 67.6 1.0 N B:VAL76 4.8 45.4 1.0 C B:CYS77 4.8 50.7 1.0 SG B:CYS55 4.9 48.2 1.0 C B:VAL76 5.0 53.9 1.0 N B:ALA79 5.0 46.3 1.0

Iron binding site 2 out of 30 in the As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:43.4 occ:0.93 FE2 B:SF4701 0.0 43.4 0.9 S1 B:SF4701 2.3 41.9 0.9 S3 B:SF4701 2.3 43.6 0.9 S4 B:SF4701 2.3 40.6 0.9 SG B:CYS55 2.4 48.2 1.0 FE4 B:SF4701 2.6 44.0 0.9 FE1 B:SF4701 2.7 44.7 0.9 FE3 B:SF4701 2.8 42.8 0.9 CB B:CYS55 3.1 42.0 1.0 NH2 B:ARG87 3.5 44.7 1.0 S2 B:SF4701 3.9 40.0 0.9 C B:CYS55 4.1 47.4 1.0 N B:ASN57 4.1 50.1 1.0 O B:CYS55 4.2 44.0 1.0 CA B:CYS55 4.2 49.9 1.0 CB B:ASN57 4.4 43.2 1.0 N B:ARG56 4.5 46.9 1.0 CZ B:ARG87 4.6 48.9 1.0 CA B:ASN57 4.7 47.0 1.0 SG B:CYS77 4.8 51.2 1.0 N B:CYS58 4.8 46.9 1.0 CB B:CYS63 5.0 44.5 1.0

Iron binding site 3 out of 30 in the As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:42.8 occ:0.93 FE3 B:SF4701 0.0 42.8 0.9 S2 B:SF4701 2.3 40.0 0.9 S4 B:SF4701 2.3 40.6 0.9 S1 B:SF4701 2.3 41.9 0.9 SG B:CYS63 2.7 52.8 1.0 FE4 B:SF4701 2.8 44.0 0.9 FE2 B:SF4701 2.8 43.4 0.9 FE1 B:SF4701 2.8 44.7 0.9 CB B:CYS63 3.2 44.5 1.0 N B:VAL76 3.9 45.4 1.0 S3 B:SF4701 4.0 43.6 0.9 CA B:GLY61 4.2 42.6 1.0 N B:CYS63 4.4 45.2 1.0 CA B:CYS63 4.4 51.3 1.0 N B:GLY61 4.4 49.4 1.0 CA B:GLY75 4.4 49.6 1.0 CB B:VAL76 4.5 50.6 1.0 N B:CYS77 4.6 49.4 1.0 O B:CYS55 4.6 44.0 1.0 C B:GLY75 4.6 52.4 1.0 SG B:CYS77 4.7 51.2 1.0 CA B:VAL76 4.8 48.6 1.0 SG B:CYS58 4.8 67.6 1.0 CG2 B:VAL76 4.8 46.2 1.0 C B:MET60 4.9 44.0 1.0 SG B:CYS55 4.9 48.2 1.0 CB B:CYS55 4.9 42.0 1.0

Iron binding site 4 out of 30 in the As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:44.0 occ:0.93 FE4 B:SF4701 0.0 44.0 0.9 S3 B:SF4701 2.3 43.6 0.9 S1 B:SF4701 2.3 41.9 0.9 S2 B:SF4701 2.3 40.0 0.9 SG B:CYS58 2.5 67.6 1.0 FE2 B:SF4701 2.6 43.4 0.9 FE1 B:SF4701 2.6 44.7 0.9 FE3 B:SF4701 2.8 42.8 0.9 CB B:CYS58 3.4 44.2 1.0 N B:CYS58 3.7 46.9 1.0 S4 B:SF4701 3.8 40.6 0.9 CD1 B:ILE206 3.8 55.2 1.0 CA B:CYS58 4.0 46.9 1.0 O B:CYS58 4.4 47.2 1.0 C B:ASN57 4.4 53.2 1.0 C B:CYS58 4.4 47.5 1.0 N B:GLY61 4.5 49.4 1.0 N B:ASN57 4.6 50.1 1.0 SG B:CYS55 4.6 48.2 1.0 CG1 B:ILE206 4.6 43.3 1.0 CA B:ASN57 4.8 47.0 1.0 CB B:CYS77 4.8 42.9 1.0 SG B:CYS77 4.8 51.2 1.0 CB B:ILE206 4.8 46.9 1.0 CB B:ASN57 4.9 43.2 1.0 CA B:GLY61 4.9 42.6 1.0 CB B:MET60 4.9 44.2 1.0 CE B:MET60 5.0 38.7 1.0

Iron binding site 5 out of 30 in the As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe702 b:68.7 occ:0.67 FE1 B:FES702 0.0 68.7 0.7 S1 B:FES702 2.3 60.3 0.7 S2 B:FES702 2.3 58.0 0.7 SG B:CYS54 2.3 70.5 1.0 FE2 B:FES702 2.7 63.2 0.7 CB B:CYS54 3.5 54.4 1.0 SG B:CYS46 4.8 67.1 1.0 NH1 B:ARG56 4.8 62.0 1.0 CD B:ARG56 4.8 55.6 1.0 CA B:CYS54 4.9 54.7 1.0

Iron binding site 6 out of 30 in the As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe702 b:63.2 occ:0.67 FE2 B:FES702 0.0 63.2 0.7 SG B:CYS46 2.3 67.1 1.0 S1 B:FES702 2.3 60.3 0.7 S2 B:FES702 2.3 58.0 0.7 FE1 B:FES702 2.7 68.7 0.7 CB B:CYS46 3.1 55.0 1.0 N B:GLY49 4.1 57.7 1.0 CA B:CYS46 4.6 60.3 1.0 SG B:CYS54 4.6 70.5 1.0 CB B:PHE48 4.6 61.2 1.0 CA B:GLY49 4.7 52.2 1.0 CB B:CYS54 5.0 54.4 1.0

Iron binding site 7 out of 30 in the As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe703 b:63.7 occ:0.87 FE1 B:MSK703 0.0 63.7 0.9 NE2 B:HIS269 2.2 54.6 1.0 S1 B:MSK703 2.3 53.8 0.8 SG B:CYS305 2.3 60.4 1.0 CE1 B:HIS269 3.0 55.2 1.0 CD2 B:HIS269 3.1 54.0 1.0 CB B:CYS305 3.2 49.8 1.0 SG B:CYS522 3.2 71.9 1.0 S3 B:MSK703 3.4 60.5 1.0 FE4 B:MSK703 3.5 48.5 0.8 S5 B:MSK703 3.6 55.0 1.0 CB B:CYS522 3.6 51.2 1.0 FE2 B:MSK703 4.0 47.2 0.6 ND1 B:HIS269 4.1 54.9 1.0 NZ B:LYS559 4.1 52.2 1.0 CG B:HIS269 4.1 55.1 1.0 O B:HOH858 4.2 48.7 1.0 N B:CYS305 4.3 51.0 1.0 CA B:CYS305 4.3 53.6 1.0 O B:HOH829 4.6 44.0 1.0 FE3 B:MSK703 4.6 48.5 0.6 N B:CYS522 4.7 50.8 1.0 CA B:CYS522 4.8 50.3 1.0

Iron binding site 8 out of 30 in the As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe703 b:47.2 occ:0.62 FE2 B:MSK703 0.0 47.2 0.6 S5 B:MSK703 2.1 55.0 1.0 S4 B:MSK703 2.2 51.6 0.6 S1 B:MSK703 2.3 53.8 0.8 SG B:CYS481 2.4 55.3 1.0 FE4 B:MSK703 2.7 48.5 0.8 FE3 B:MSK703 2.7 48.5 0.6 CB B:CYS481 3.6 49.8 1.0 O B:HOH858 3.7 48.7 1.0 S3 B:MSK703 3.8 60.5 1.0 FE1 B:MSK703 4.0 63.7 0.9 CB B:PHE322 4.1 47.3 1.0 CA B:CYS451 4.1 48.4 1.0 SG B:CYS304 4.3 59.9 1.0 N B:CYS481 4.3 45.4 1.0 O B:GLY450 4.4 53.0 1.0 CA B:CYS481 4.6 52.6 1.0 CB B:CYS451 4.6 52.4 1.0 CB B:CYS304 4.7 52.3 1.0 CG B:PHE322 4.8 51.2 1.0 N B:PHE322 4.8 43.7 1.0 CA B:PHE322 4.9 46.0 1.0 C B:CYS451 5.0 50.9 1.0 N B:CYS451 5.0 51.1 1.0 SG B:CYS343 5.0 46.6 1.0 C B:GLY450 5.0 50.8 1.0

Iron binding site 9 out of 30 in the As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe703 b:48.5 occ:0.55 FE3 B:MSK703 0.0 48.5 0.6 S4 B:MSK703 2.2 51.6 0.6 S3 B:MSK703 2.2 60.5 1.0 S5 B:MSK703 2.4 55.0 1.0 SG B:CYS451 2.4 54.5 1.0 FE4 B:MSK703 2.7 48.5 0.8 CB B:CYS451 2.7 52.4 1.0 FE2 B:MSK703 2.7 47.2 0.6 CA B:CYS451 2.9 48.4 1.0 N B:CYS451 3.4 51.1 1.0 C B:GLY450 3.8 50.8 1.0 S1 B:MSK703 3.9 53.8 0.8 O B:GLY450 3.9 53.0 1.0 C B:CYS451 4.3 50.9 1.0 OG B:SER557 4.3 45.6 1.0 CE B:MET556 4.5 49.2 1.0 SG B:CYS522 4.6 71.9 1.0 FE1 B:MSK703 4.6 63.7 0.9 SG B:CYS343 4.6 46.6 1.0 SG B:CYS481 4.7 55.3 1.0 CA B:GLY450 4.7 49.4 1.0 CB B:SER557 4.7 45.7 1.0 N B:ASN452 4.7 50.9 1.0

Iron binding site 10 out of 30 in the As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe703 b:48.5 occ:0.75 FE4 B:MSK703 0.0 48.5 0.8 S4 B:MSK703 2.2 51.6 0.6 S3 B:MSK703 2.2 60.5 1.0 S1 B:MSK703 2.3 53.8 0.8 SG B:CYS343 2.3 46.6 1.0 FE3 B:MSK703 2.7 48.5 0.6 FE2 B:MSK703 2.7 47.2 0.6 CB B:CYS343 3.3 47.4 1.0 FE1 B:MSK703 3.5 63.7 0.9 S5 B:MSK703 3.6 55.0 1.0 CE1 B:HIS269 4.0 55.2 1.0 CE B:MET556 4.2 49.2 1.0 NE2 B:HIS269 4.2 54.6 1.0 NZ B:LYS559 4.3 52.2 1.0 SG B:CYS451 4.6 54.5 1.0 CD1 B:PHE322 4.7 49.0 1.0 CA B:CYS343 4.7 49.2 1.0 CB B:CYS451 4.9 52.4 1.0

H.Dobbek, J.-H.Jeoung. As-Isolated Ni-Free Crystal Structure of Carbon Monoxide Dehydrogenase From Thermococcus Sp. AM4 Produced Without Cooc Maturase To Be Published.