4TKV
CO-bound Nitrogenase MoFe-protein from A. vinelandii
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005524 | molecular_function | ATP binding |
| A | 0009399 | biological_process | nitrogen fixation |
| A | 0016163 | molecular_function | nitrogenase activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016612 | cellular_component | molybdenum-iron nitrogenase complex |
| A | 0018697 | molecular_function | carbonyl sulfide nitrogenase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0051536 | molecular_function | iron-sulfur cluster binding |
| B | 0005524 | molecular_function | ATP binding |
| B | 0009399 | biological_process | nitrogen fixation |
| B | 0016163 | molecular_function | nitrogenase activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016612 | cellular_component | molybdenum-iron nitrogenase complex |
| B | 0018697 | molecular_function | carbonyl sulfide nitrogenase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0051536 | molecular_function | iron-sulfur cluster binding |
| C | 0005524 | molecular_function | ATP binding |
| C | 0009399 | biological_process | nitrogen fixation |
| C | 0016163 | molecular_function | nitrogenase activity |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016612 | cellular_component | molybdenum-iron nitrogenase complex |
| C | 0018697 | molecular_function | carbonyl sulfide nitrogenase activity |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0051536 | molecular_function | iron-sulfur cluster binding |
| D | 0005524 | molecular_function | ATP binding |
| D | 0009399 | biological_process | nitrogen fixation |
| D | 0016163 | molecular_function | nitrogenase activity |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0016612 | cellular_component | molybdenum-iron nitrogenase complex |
| D | 0018697 | molecular_function | carbonyl sulfide nitrogenase activity |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0051536 | molecular_function | iron-sulfur cluster binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 17 |
| Details | binding site for residue HCA A 501 |
| Chain | Residue |
| A | ALA65 |
| A | HOH667 |
| A | HOH672 |
| A | HOH754 |
| A | HOH776 |
| A | HOH780 |
| A | HOH804 |
| B | HOH773 |
| B | HOH892 |
| A | ARG96 |
| A | GLN191 |
| A | GLY424 |
| A | ILE425 |
| A | HIS442 |
| A | ICE502 |
| A | HOH614 |
| A | HOH655 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | binding site for residue ICE A 502 |
| Chain | Residue |
| A | VAL70 |
| A | ARG96 |
| A | TYR229 |
| A | CYS275 |
| A | GLY356 |
| A | GLY357 |
| A | LEU358 |
| A | ARG359 |
| A | HIS442 |
| A | HCA501 |
| A | CMO504 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | binding site for residue IMD A 503 |
| Chain | Residue |
| A | TRP294 |
| A | HOH791 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue CMO A 504 |
| Chain | Residue |
| A | VAL70 |
| A | HIS195 |
| A | PHE381 |
| A | ICE502 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue CMO A 505 |
| Chain | Residue |
| A | TYR100 |
| A | THR111 |
| A | HOH604 |
| A | HOH605 |
| B | ARG453 |
| B | HOH707 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue ICE A 506 |
| Chain | Residue |
| A | ARG93 |
| A | THR111 |
| B | PHE450 |
| B | ARG453 |
| B | HOH1063 |
| site_id | AC7 |
| Number of Residues | 13 |
| Details | binding site for residue CLF A 507 |
| Chain | Residue |
| A | CYS62 |
| A | TYR64 |
| A | GLY87 |
| A | CYS88 |
| A | TYR91 |
| A | CYS154 |
| A | GLY185 |
| B | CYS70 |
| B | SER92 |
| B | CYS95 |
| B | TYR98 |
| B | CYS153 |
| B | SER188 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue IMD B 601 |
| Chain | Residue |
| B | LEU253 |
| B | ASP256 |
| B | GLY275 |
| B | THR276 |
| B | GLU280 |
| B | HOH916 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue IMD B 602 |
| Chain | Residue |
| B | SER482 |
| B | THR483 |
| B | GLN492 |
| B | THR496 |
| B | HOH771 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue IMD B 603 |
| Chain | Residue |
| A | GLY157 |
| B | GLU120 |
| B | ALA123 |
| C | GLN41 |
| C | LYS44 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue CMO B 604 |
| Chain | Residue |
| B | LEU466 |
| B | ARG468 |
| B | HOH703 |
| B | HOH955 |
| site_id | AD3 |
| Number of Residues | 6 |
| Details | binding site for residue FE2 B 605 |
| Chain | Residue |
| B | ASP353 |
| B | ASP357 |
| B | HOH803 |
| D | ARG108 |
| D | GLU109 |
| D | HOH966 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue FE2 B 606 |
| Chain | Residue |
| B | ARG108 |
| B | GLU109 |
| B | HOH987 |
| D | ASP353 |
| D | ASP357 |
| D | HOH736 |
| site_id | AD5 |
| Number of Residues | 17 |
| Details | binding site for residue HCA C 501 |
| Chain | Residue |
| C | HOH676 |
| C | HOH701 |
| C | HOH704 |
| C | HOH832 |
| C | HOH843 |
| C | HOH851 |
| D | HOH758 |
| D | HOH890 |
| C | ALA65 |
| C | ARG96 |
| C | GLN191 |
| C | GLY424 |
| C | ILE425 |
| C | HIS442 |
| C | ICE502 |
| C | HOH608 |
| C | HOH647 |
| site_id | AD6 |
| Number of Residues | 11 |
| Details | binding site for residue ICE C 502 |
| Chain | Residue |
| C | VAL70 |
| C | ARG96 |
| C | TYR229 |
| C | CYS275 |
| C | GLY356 |
| C | GLY357 |
| C | LEU358 |
| C | ARG359 |
| C | HIS442 |
| C | HCA501 |
| C | CMO504 |
| site_id | AD7 |
| Number of Residues | 3 |
| Details | binding site for residue IMD C 503 |
| Chain | Residue |
| C | TRP294 |
| C | HOH605 |
| C | HOH831 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue CMO C 504 |
| Chain | Residue |
| C | VAL70 |
| C | HIS195 |
| C | PHE381 |
| C | ICE502 |
| site_id | AD9 |
| Number of Residues | 7 |
| Details | binding site for residue CMO C 505 |
| Chain | Residue |
| C | TYR100 |
| C | THR104 |
| C | THR111 |
| C | HOH602 |
| C | HOH649 |
| D | ARG453 |
| D | HOH704 |
| site_id | AE1 |
| Number of Residues | 5 |
| Details | binding site for residue ICE C 506 |
| Chain | Residue |
| C | ARG93 |
| C | THR111 |
| D | PHE450 |
| D | ARG453 |
| D | HOH1063 |
| site_id | AE2 |
| Number of Residues | 14 |
| Details | binding site for residue CLF C 507 |
| Chain | Residue |
| C | CYS62 |
| C | TYR64 |
| C | PRO85 |
| C | GLY87 |
| C | CYS88 |
| C | TYR91 |
| C | CYS154 |
| C | GLY185 |
| D | CYS70 |
| D | SER92 |
| D | CYS95 |
| D | TYR98 |
| D | CYS153 |
| D | SER188 |
| site_id | AE3 |
| Number of Residues | 5 |
| Details | binding site for residue IMD D 601 |
| Chain | Residue |
| D | SER482 |
| D | THR483 |
| D | GLN492 |
| D | THR496 |
| D | HOH748 |
| site_id | AE4 |
| Number of Residues | 5 |
| Details | binding site for residue IMD D 602 |
| Chain | Residue |
| D | LEU253 |
| D | ASP256 |
| D | GLY275 |
| D | THR276 |
| D | GLU280 |
| site_id | AE5 |
| Number of Residues | 4 |
| Details | binding site for residue IMD D 603 |
| Chain | Residue |
| A | GLN41 |
| A | LYS44 |
| C | GLY157 |
| D | GLU120 |
| site_id | AE6 |
| Number of Residues | 5 |
| Details | binding site for residue CMO D 604 |
| Chain | Residue |
| D | LEU466 |
| D | ILE467 |
| D | ARG468 |
| D | HOH701 |
| D | HOH856 |
Functional Information from PROSITE/UniProt
| site_id | PS00090 |
| Number of Residues | 15 |
| Details | NITROGENASE_1_2 Nitrogenases component 1 alpha and beta subunits signature 2. SECpigliGDDIeSV |
| Chain | Residue | Details |
| A | SER152-VAL166 | |
| B | THR151-PHE165 |
| site_id | PS00699 |
| Number of Residues | 8 |
| Details | NITROGENASE_1_1 Nitrogenases component 1 alpha and beta subunits signature 1. ISHGPVGC |
| Chain | Residue | Details |
| A | ILE81-CYS88 | |
| B | TYR88-CYS95 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | BINDING: |
| Chain | Residue | Details |
| B | CYS70 | |
| C | HIS442 | |
| B | CYS95 | |
| B | CYS153 | |
| B | SER188 | |
| D | CYS70 | |
| D | CYS95 | |
| D | CYS153 | |
| D | SER188 | |
| C | CYS275 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 2 |
| Details | M-CSA 212 |
| Chain | Residue | Details |
| B | CYS153 | metal ligand |
| B | VAL157 | polar interaction, single electron acceptor, single electron donor, single electron relay |
| A | ARG96 | activator, hydrogen bond donor |
| A | HIS195 | activator, polar interaction |
| site_id | MCSA2 |
| Number of Residues | 2 |
| Details | M-CSA 212 |
| Chain | Residue | Details |
| D | CYS153 | metal ligand |
| D | VAL157 | polar interaction, single electron acceptor, single electron donor, single electron relay |
| C | ARG96 | activator, hydrogen bond donor |
| C | HIS195 | activator, polar interaction |
