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 | 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 | 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 | 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 | 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 | 16 |
| Details | binding site for residue HCA A 601 |
| Chain | Residue |
| A | ALA65 |
| A | HOH768 |
| A | HOH811 |
| A | HOH876 |
| A | HOH886 |
| B | HOH716 |
| B | HOH769 |
| B | HOH865 |
| A | GLN191 |
| A | GLY424 |
| A | ILE425 |
| A | HIS442 |
| A | ICS602 |
| A | HOH721 |
| A | HOH732 |
| A | HOH735 |
| site_id | AC2 |
| Number of Residues | 12 |
| Details | binding site for residue ICS A 602 |
| Chain | Residue |
| A | VAL70 |
| A | ARG96 |
| A | HIS195 |
| A | TYR229 |
| A | CYS275 |
| A | GLY356 |
| A | GLY357 |
| A | LEU358 |
| A | ARG359 |
| A | PHE381 |
| A | HIS442 |
| A | HCA601 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue MO A 603 |
| Chain | Residue |
| A | ASN29 |
| A | LEU32 |
| A | CYS45 |
| site_id | AC4 |
| Number of Residues | 1 |
| Details | binding site for residue MO A 604 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue H2S A 605 |
| Chain | Residue |
| A | ARG93 |
| A | THR104 |
| A | THR111 |
| B | PHE450 |
| B | ARG453 |
| B | HOH989 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue MO A 606 |
| Chain | Residue |
| A | PRO37 |
| A | VAL39 |
| D | HOH733 |
| site_id | AC7 |
| Number of Residues | 1 |
| Details | binding site for residue MO A 607 |
| site_id | AC8 |
| Number of Residues | 15 |
| Details | binding site for residue CLF A 608 |
| Chain | Residue |
| A | CYS62 |
| A | TYR64 |
| A | PRO85 |
| A | GLY87 |
| A | CYS88 |
| A | TYR91 |
| A | CYS154 |
| A | GLY185 |
| B | CYS70 |
| B | SER92 |
| B | CYS95 |
| B | TYR98 |
| B | THR152 |
| B | CYS153 |
| B | SER188 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | binding site for residue FE B 601 |
| Chain | Residue |
| B | ASP353 |
| B | ASP357 |
| C | PHE429 |
| C | LYS433 |
| C | HOH892 |
| D | ARG108 |
| D | GLU109 |
| site_id | AD1 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 602 |
| Chain | Residue |
| B | PHE230 |
| B | GLU231 |
| B | THR232 |
| B | TYR233 |
| B | PHE471 |
| B | HOH766 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue GOL B 603 |
| Chain | Residue |
| B | THR360 |
| B | TRP361 |
| B | HOH951 |
| C | ASP445 |
| C | TYR446 |
| C | ARG461 |
| C | HOH841 |
| site_id | AD3 |
| Number of Residues | 8 |
| Details | binding site for residue GOL B 604 |
| Chain | Residue |
| B | ARG59 |
| B | GLU60 |
| B | ALA61 |
| B | LEU62 |
| B | GLY424 |
| B | HOH727 |
| B | HOH733 |
| B | HOH773 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue GOL B 605 |
| Chain | Residue |
| B | GLN513 |
| B | ALA514 |
| B | HOH973 |
| D | PHE15 |
| site_id | AD5 |
| Number of Residues | 5 |
| Details | binding site for residue FE B 606 |
| Chain | Residue |
| A | PHE429 |
| A | HOH921 |
| B | ARG108 |
| D | ASP353 |
| D | ASP357 |
| site_id | AD6 |
| Number of Residues | 16 |
| Details | binding site for residue HCA C 601 |
| Chain | Residue |
| C | ICS602 |
| C | HOH744 |
| C | HOH750 |
| C | HOH770 |
| C | HOH801 |
| C | HOH803 |
| C | HOH813 |
| C | HOH840 |
| C | HOH861 |
| D | HOH727 |
| D | HOH793 |
| C | ALA65 |
| C | GLN191 |
| C | GLY424 |
| C | ILE425 |
| C | HIS442 |
| site_id | AD7 |
| Number of Residues | 12 |
| Details | binding site for residue ICS C 602 |
| Chain | Residue |
| C | VAL70 |
| C | ARG96 |
| C | HIS195 |
| C | TYR229 |
| C | CYS275 |
| C | GLY356 |
| C | GLY357 |
| C | LEU358 |
| C | ARG359 |
| C | PHE381 |
| C | HIS442 |
| C | HCA601 |
| site_id | AD8 |
| Number of Residues | 3 |
| Details | binding site for residue MO C 603 |
| Chain | Residue |
| C | ASN29 |
| C | LEU32 |
| C | CYS45 |
| site_id | AD9 |
| Number of Residues | 1 |
| Details | binding site for residue MO C 604 |
| site_id | AE1 |
| Number of Residues | 4 |
| Details | binding site for residue MO C 605 |
| Chain | Residue |
| B | VAL124 |
| B | HOH712 |
| C | PRO37 |
| C | VAL39 |
| site_id | AE2 |
| Number of Residues | 3 |
| Details | binding site for residue MO C 606 |
| Chain | Residue |
| C | ASP204 |
| C | TRP205 |
| C | HOH940 |
| site_id | AE3 |
| Number of Residues | 14 |
| Details | binding site for residue CLF C 607 |
| 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 | AE4 |
| Number of Residues | 6 |
| Details | binding site for residue H2S D 601 |
| Chain | Residue |
| C | ARG93 |
| C | THR104 |
| C | THR111 |
| D | PHE450 |
| D | ARG453 |
| D | HOH960 |
| site_id | AE5 |
| Number of Residues | 6 |
| Details | binding site for residue GOL D 602 |
| Chain | Residue |
| D | PRO182 |
| D | PHE183 |
| D | GLY203 |
| D | ARG206 |
| D | TYR207 |
| D | HOH786 |
| site_id | AE6 |
| Number of Residues | 8 |
| Details | binding site for residue GOL D 603 |
| Chain | Residue |
| D | PHE230 |
| D | GLU231 |
| D | THR232 |
| D | TYR233 |
| D | PHE375 |
| D | PHE471 |
| D | HOH729 |
| D | HOH844 |
| site_id | AE7 |
| Number of Residues | 8 |
| Details | binding site for residue GOL D 604 |
| Chain | Residue |
| A | ASP445 |
| A | ARG461 |
| A | MET465 |
| A | HOH825 |
| A | HOH835 |
| B | ALA10 |
| D | THR360 |
| D | TRP361 |
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 |
