3I04
Cyanide-bound structure of bifunctional carbon monoxide dehydrogenase/acetyl-CoA synthase from Moorella thermoacetica, cyanide-bound C-cluster
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004601 | molecular_function | peroxidase activity |
| A | 0006091 | biological_process | generation of precursor metabolites and energy |
| A | 0015977 | biological_process | carbon fixation |
| A | 0016151 | molecular_function | nickel cation binding |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0042542 | biological_process | response to hydrogen peroxide |
| A | 0043885 | molecular_function | anaerobic carbon-monoxide dehydrogenase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0050418 | molecular_function | hydroxylamine reductase activity |
| A | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| A | 0098869 | biological_process | cellular oxidant detoxification |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004601 | molecular_function | peroxidase activity |
| B | 0006091 | biological_process | generation of precursor metabolites and energy |
| B | 0015977 | biological_process | carbon fixation |
| B | 0016151 | molecular_function | nickel cation binding |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0042542 | biological_process | response to hydrogen peroxide |
| B | 0043885 | molecular_function | anaerobic carbon-monoxide dehydrogenase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0050418 | molecular_function | hydroxylamine reductase activity |
| B | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| B | 0098869 | biological_process | cellular oxidant detoxification |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0004601 | molecular_function | peroxidase activity |
| C | 0006091 | biological_process | generation of precursor metabolites and energy |
| C | 0015977 | biological_process | carbon fixation |
| C | 0016151 | molecular_function | nickel cation binding |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0042542 | biological_process | response to hydrogen peroxide |
| C | 0043885 | molecular_function | anaerobic carbon-monoxide dehydrogenase activity |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0050418 | molecular_function | hydroxylamine reductase activity |
| C | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| C | 0098869 | biological_process | cellular oxidant detoxification |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0004601 | molecular_function | peroxidase activity |
| D | 0006091 | biological_process | generation of precursor metabolites and energy |
| D | 0015977 | biological_process | carbon fixation |
| D | 0016151 | molecular_function | nickel cation binding |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0042542 | biological_process | response to hydrogen peroxide |
| D | 0043885 | molecular_function | anaerobic carbon-monoxide dehydrogenase activity |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0050418 | molecular_function | hydroxylamine reductase activity |
| D | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| D | 0098869 | biological_process | cellular oxidant detoxification |
| M | 0003824 | molecular_function | catalytic activity |
| M | 0006084 | biological_process | acetyl-CoA metabolic process |
| M | 0015977 | biological_process | carbon fixation |
| M | 0016491 | molecular_function | oxidoreductase activity |
| M | 0016740 | molecular_function | transferase activity |
| M | 0043884 | molecular_function | CO-methylating acetyl-CoA synthase activity |
| M | 0043885 | molecular_function | anaerobic carbon-monoxide dehydrogenase activity |
| M | 0046872 | molecular_function | metal ion binding |
| M | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| N | 0003824 | molecular_function | catalytic activity |
| N | 0006084 | biological_process | acetyl-CoA metabolic process |
| N | 0015977 | biological_process | carbon fixation |
| N | 0016491 | molecular_function | oxidoreductase activity |
| N | 0016740 | molecular_function | transferase activity |
| N | 0043884 | molecular_function | CO-methylating acetyl-CoA synthase activity |
| N | 0043885 | molecular_function | anaerobic carbon-monoxide dehydrogenase activity |
| N | 0046872 | molecular_function | metal ion binding |
| N | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| O | 0003824 | molecular_function | catalytic activity |
| O | 0006084 | biological_process | acetyl-CoA metabolic process |
| O | 0015977 | biological_process | carbon fixation |
| O | 0016491 | molecular_function | oxidoreductase activity |
| O | 0016740 | molecular_function | transferase activity |
| O | 0043884 | molecular_function | CO-methylating acetyl-CoA synthase activity |
| O | 0043885 | molecular_function | anaerobic carbon-monoxide dehydrogenase activity |
| O | 0046872 | molecular_function | metal ion binding |
| O | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| P | 0003824 | molecular_function | catalytic activity |
| P | 0006084 | biological_process | acetyl-CoA metabolic process |
| P | 0015977 | biological_process | carbon fixation |
| P | 0016491 | molecular_function | oxidoreductase activity |
| P | 0016740 | molecular_function | transferase activity |
| P | 0043884 | molecular_function | CO-methylating acetyl-CoA synthase activity |
| P | 0043885 | molecular_function | anaerobic carbon-monoxide dehydrogenase activity |
| P | 0046872 | molecular_function | metal ion binding |
| P | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SF4 A 700 |
| Chain | Residue |
| A | CYS59 |
| A | GLY62 |
| A | CYS67 |
| A | ARG69 |
| B | CYS59 |
| B | GLY62 |
| B | CYS67 |
| B | ARG69 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SF4 A 750 |
| Chain | Residue |
| A | CYS71 |
| A | ALA73 |
| A | GLY74 |
| A | CYS76 |
| A | GLY88 |
| A | CYS90 |
| A | ARG100 |
| A | MET221 |
| A | CYS68 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE XCC A 800 |
| Chain | Residue |
| A | HIS283 |
| A | CYS316 |
| A | CYS317 |
| A | PHE334 |
| A | CYS355 |
| A | GLY469 |
| A | CYS470 |
| A | CYS500 |
| A | CYS550 |
| A | SER585 |
| A | LYS587 |
| A | CYN900 |
| A | HOH2513 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CYN A 900 |
| Chain | Residue |
| A | HIS113 |
| A | CYS550 |
| A | LYS587 |
| A | ILE591 |
| A | XCC800 |
| A | HOH2513 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 963 |
| Chain | Residue |
| A | SER613 |
| A | ASP614 |
| A | LEU615 |
| M | HIS27 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SF4 B 750 |
| Chain | Residue |
| B | CYS68 |
| B | CYS71 |
| B | ALA73 |
| B | CYS76 |
| B | GLY88 |
| B | CYS90 |
| B | ARG100 |
| site_id | AC7 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE XCC B 800 |
| Chain | Residue |
| B | HIS283 |
| B | CYS316 |
| B | CYS317 |
| B | PHE334 |
| B | CYS355 |
| B | GLY469 |
| B | CYS470 |
| B | CYS500 |
| B | CYS550 |
| B | SER585 |
| B | LYS587 |
| B | CYN900 |
| B | HOH2514 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CYN B 900 |
| Chain | Residue |
| B | HIS113 |
| B | CYS550 |
| B | LYS587 |
| B | ILE591 |
| B | XCC800 |
| B | HOH2514 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL B 963 |
| Chain | Residue |
| B | SER613 |
| B | ASP614 |
| B | HOH896 |
| N | HIS27 |
| site_id | BC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SF4 C 700 |
| Chain | Residue |
| C | CYS59 |
| C | GLY62 |
| C | CYS67 |
| C | ARG69 |
| D | CYS59 |
| D | GLY62 |
| D | CYS67 |
| D | ARG69 |
| site_id | BC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SF4 C 750 |
| Chain | Residue |
| C | CYS68 |
| C | CYS71 |
| C | CYS76 |
| C | GLY88 |
| C | CYS90 |
| C | ARG100 |
| C | MET221 |
| site_id | BC3 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE XCC C 800 |
| Chain | Residue |
| C | HIS283 |
| C | CYS316 |
| C | CYS317 |
| C | PHE334 |
| C | CYS355 |
| C | GLY469 |
| C | CYS470 |
| C | CYS500 |
| C | CYS550 |
| C | SER585 |
| C | LYS587 |
| C | CYN900 |
| C | HOH2515 |
| site_id | BC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SF4 D 750 |
| Chain | Residue |
| D | CYS71 |
| D | ALA73 |
| D | CYS76 |
| D | GLY88 |
| D | CYS90 |
| D | ARG100 |
| D | CYS68 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CYN C 900 |
| Chain | Residue |
| C | HIS113 |
| C | CYS550 |
| C | LYS587 |
| C | ILE591 |
| C | XCC800 |
| C | HOH2515 |
| site_id | BC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL C 963 |
| Chain | Residue |
| C | THR81 |
| C | ALA94 |
| C | TRP95 |
| C | SER613 |
| C | ASP614 |
| C | LEU615 |
| O | HIS27 |
| site_id | BC7 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE XCC D 800 |
| Chain | Residue |
| D | HIS283 |
| D | CYS316 |
| D | CYS317 |
| D | PHE334 |
| D | CYS355 |
| D | GLY469 |
| D | CYS470 |
| D | CYS500 |
| D | CYS550 |
| D | SER585 |
| D | LYS587 |
| D | CYN900 |
| D | HOH2516 |
| site_id | BC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CU1 M 950 |
| Chain | Residue |
| M | CYS509 |
| M | CYS595 |
| M | CYS597 |
| M | SF4900 |
| M | NI951 |
| M | ACT953 |
| site_id | BC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CYN D 900 |
| Chain | Residue |
| D | HIS113 |
| D | CYS550 |
| D | LYS587 |
| D | ILE591 |
| D | XCC800 |
| D | HOH2516 |
| site_id | CC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL D 963 |
| Chain | Residue |
| D | ALA94 |
| D | TRP95 |
| D | SER613 |
| D | ASP614 |
| D | LEU615 |
| D | HOH1617 |
| P | HIS27 |
| site_id | CC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SF4 M 900 |
| Chain | Residue |
| M | CYS506 |
| M | CYS509 |
| M | CYS518 |
| M | GLY526 |
| M | LEU527 |
| M | CYS528 |
| M | CYS597 |
| M | CU1950 |
| site_id | CC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NI M 951 |
| Chain | Residue |
| M | CYS595 |
| M | GLY596 |
| M | CYS597 |
| M | PHE598 |
| M | CU1950 |
| M | ACT953 |
| site_id | CC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT M 953 |
| Chain | Residue |
| M | GLY145 |
| M | VAL149 |
| M | PHE229 |
| M | CYS509 |
| M | CYS597 |
| M | CU1950 |
| M | NI951 |
| site_id | CC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CU1 N 950 |
| Chain | Residue |
| N | CYS509 |
| N | CYS595 |
| N | CYS597 |
| N | SF4900 |
| N | NI951 |
| N | ACT953 |
| site_id | CC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA M 1 |
| Chain | Residue |
| M | PHE328 |
| M | GLU331 |
| M | ASN412 |
| M | GLY414 |
| M | LEU417 |
| M | HOH730 |
| site_id | CC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SF4 N 900 |
| Chain | Residue |
| N | ILE146 |
| N | CYS506 |
| N | CYS509 |
| N | CYS518 |
| N | CYS528 |
| N | VAL531 |
| N | CYS597 |
| N | CU1950 |
| site_id | CC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA N 730 |
| Chain | Residue |
| N | PHE328 |
| N | GLU331 |
| N | ASN412 |
| N | GLY414 |
| N | LEU417 |
| N | HOH732 |
| site_id | CC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT N 953 |
| Chain | Residue |
| N | GLY145 |
| N | VAL149 |
| N | PHE229 |
| N | CYS509 |
| N | CYS595 |
| N | CU1950 |
| N | NI951 |
| site_id | DC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CU1 O 950 |
| Chain | Residue |
| O | CYS509 |
| O | CYS595 |
| O | CYS597 |
| O | SF4900 |
| O | NI951 |
| O | ACT953 |
| site_id | DC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NI N 951 |
| Chain | Residue |
| N | CYS595 |
| N | GLY596 |
| N | CYS597 |
| N | PHE598 |
| N | CU1950 |
| N | ACT953 |
| site_id | DC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SF4 O 900 |
| Chain | Residue |
| O | ILE146 |
| O | CYS506 |
| O | LEU508 |
| O | CYS509 |
| O | CYS518 |
| O | GLY526 |
| O | LEU527 |
| O | CYS528 |
| O | CYS597 |
| O | CU1950 |
| site_id | DC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA O 730 |
| Chain | Residue |
| O | PHE328 |
| O | GLU331 |
| O | ASN412 |
| O | GLY414 |
| O | LEU417 |
| O | HOH731 |
| site_id | DC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE NI O 951 |
| Chain | Residue |
| O | LEU527 |
| O | CYS595 |
| O | GLY596 |
| O | CYS597 |
| O | PHE598 |
| O | CU1950 |
| O | ACT953 |
| site_id | DC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CU1 P 950 |
| Chain | Residue |
| P | CYS509 |
| P | CYS595 |
| P | CYS597 |
| P | SF4900 |
| P | NI951 |
| P | ACT953 |
| site_id | DC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT O 953 |
| Chain | Residue |
| O | GLY145 |
| O | PHE229 |
| O | CYS509 |
| O | CYS595 |
| O | CYS597 |
| O | CU1950 |
| O | NI951 |
| site_id | DC8 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SF4 P 900 |
| Chain | Residue |
| P | ILE146 |
| P | CYS506 |
| P | CYS509 |
| P | CYS518 |
| P | GLY526 |
| P | LEU527 |
| P | CYS528 |
| P | VAL531 |
| P | CYS597 |
| P | CU1950 |
| site_id | DC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA P 730 |
| Chain | Residue |
| P | PHE328 |
| P | GLU331 |
| P | ASN412 |
| P | GLY414 |
| P | LEU417 |
| P | HOH731 |
| site_id | EC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NI P 951 |
| Chain | Residue |
| P | CYS595 |
| P | GLY596 |
| P | CYS597 |
| P | CU1950 |
| P | ACT953 |
| site_id | EC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE ACT P 953 |
| Chain | Residue |
| P | GLY145 |
| P | ILE146 |
| P | VAL149 |
| P | PHE229 |
| P | CYS509 |
| P | CYS597 |
| P | CU1950 |
| P | NI951 |
Functional Information from PROSITE/UniProt
| site_id | PS00216 |
| Number of Residues | 18 |
| Details | SUGAR_TRANSPORT_1 Sugar transport proteins signature 1. LGILVDIYGRKmqadfeG |
| Chain | Residue | Details |
| M | LEU384-GLY401 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 28 |
| Details | BINDING: |
| Chain | Residue | Details |
| M | CYS506 | |
| N | CYS518 | |
| N | CYS528 | |
| N | CYS595 | |
| N | GLY596 | |
| N | CYS597 | |
| O | CYS506 | |
| O | CYS509 | |
| O | CYS518 | |
| O | CYS528 | |
| O | CYS595 | |
| M | CYS509 | |
| O | GLY596 | |
| O | CYS597 | |
| P | CYS506 | |
| P | CYS509 | |
| P | CYS518 | |
| P | CYS528 | |
| P | CYS595 | |
| P | GLY596 | |
| P | CYS597 | |
| C | CYS76 | |
| M | CYS518 | |
| C | CYS90 | |
| C | HIS283 | |
| C | CYS317 | |
| C | CYS355 | |
| C | CYS470 | |
| C | CYS500 | |
| C | CYS550 | |
| D | CYS59 | |
| D | CYS67 | |
| D | CYS68 | |
| M | CYS528 | |
| D | CYS71 | |
| D | CYS76 | |
| D | CYS90 | |
| D | HIS283 | |
| D | CYS317 | |
| D | CYS355 | |
| D | CYS470 | |
| D | CYS500 | |
| D | CYS550 | |
| M | CYS595 | |
| M | GLY596 | |
| M | CYS597 | |
| N | CYS506 | |
| N | CYS509 |
