3U7Q
A. vinelandii nitrogenase MoFe protein at atomic resolution
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 | 16 |
| Details | BINDING SITE FOR RESIDUE HCA A 6494 |
| Chain | Residue |
| A | ALA65 |
| A | HOH538 |
| A | HOH561 |
| A | HOH573 |
| A | HOH585 |
| A | ICS6496 |
| B | HOH592 |
| B | HOH674 |
| A | GLN191 |
| A | GLY424 |
| A | ILE425 |
| A | HIS442 |
| A | HOH519 |
| A | HOH525 |
| A | HOH534 |
| A | HOH536 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE ICS A 6496 |
| Chain | Residue |
| A | VAL70 |
| A | ARG96 |
| A | HIS195 |
| A | TYR229 |
| A | CYS275 |
| A | GLY356 |
| A | GLY357 |
| A | ARG359 |
| A | PHE381 |
| A | HIS442 |
| A | HCA6494 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE IMD A 493 |
| Chain | Residue |
| A | TRP294 |
| A | HOH495 |
| A | HOH2352 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE IMD A 494 |
| Chain | Residue |
| A | ARG96 |
| A | TYR99 |
| A | THR111 |
| D | HOH552 |
| D | HOH698 |
| D | HOH878 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CA B 7492 |
| Chain | Residue |
| B | ASP353 |
| B | ASP357 |
| B | HOH608 |
| D | ARG108 |
| D | GLU109 |
| D | HOH628 |
| D | HOH1263 |
| site_id | AC6 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 1CL B 6498 |
| 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 | CYS153 |
| B | SER188 |
| site_id | AC7 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE CLF B 6499 |
| 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 | CYS153 |
| B | SER188 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CA B 6492 |
| Chain | Residue |
| B | ARG108 |
| B | GLU109 |
| B | HOH627 |
| D | ASP353 |
| D | ASP357 |
| D | HOH711 |
| D | HOH2575 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE IMD B 524 |
| Chain | Residue |
| B | SER482 |
| B | THR483 |
| B | GLN492 |
| B | THR496 |
| B | HOH530 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE IMD B 525 |
| Chain | Residue |
| A | GLY157 |
| B | GLU120 |
| B | ALA123 |
| C | GLN41 |
| C | LYS44 |
| site_id | BC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG B 526 |
| Chain | Residue |
| B | HOH659 |
| B | HOH837 |
| site_id | BC3 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE HCA C 7494 |
| Chain | Residue |
| C | HOH537 |
| C | HOH546 |
| C | HOH558 |
| C | HOH570 |
| C | ICS7496 |
| D | HOH574 |
| D | HOH634 |
| C | ALA65 |
| C | GLN191 |
| C | GLY424 |
| C | ILE425 |
| C | HIS442 |
| C | HOH497 |
| C | HOH505 |
| C | HOH517 |
| C | HOH535 |
| site_id | BC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE ICS C 7496 |
| Chain | Residue |
| C | VAL70 |
| C | ARG96 |
| C | HIS195 |
| C | TYR229 |
| C | CYS275 |
| C | GLY356 |
| C | GLY357 |
| C | ARG359 |
| C | PHE381 |
| C | HIS442 |
| C | HCA7494 |
| site_id | BC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE IMD C 493 |
| Chain | Residue |
| C | TRP294 |
| C | HOH607 |
| C | HOH1611 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE IMD C 494 |
| Chain | Residue |
| A | GLN41 |
| A | LYS44 |
| C | GLY157 |
| D | GLU120 |
| D | ALA123 |
| site_id | BC7 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 1CL D 7498 |
| 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 | BC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE IMD D 524 |
| Chain | Residue |
| D | SER482 |
| D | THR483 |
| D | GLN492 |
| D | THR496 |
| D | HOH527 |
| site_id | BC9 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE CLF D 7499 |
| 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 | CC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE IMD D 525 |
| Chain | Residue |
| D | LEU253 |
| D | ASP256 |
| D | GLY275 |
| D | THR276 |
| D | GLU280 |
| site_id | CC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG D 526 |
| Chain | Residue |
| D | LYS9 |
| D | HOH707 |
Functional Information from PROSITE/UniProt
| site_id | PS00699 |
| Number of Residues | 8 |
| Details | NITROGENASE_1_1 Nitrogenases component 1 alpha and beta subunits signature 1. YVHGSQGC |
| Chain | Residue | Details |
| B | TYR88-CYS95 | |
| A | ILE81-CYS88 |
| site_id | PS00090 |
| Number of Residues | 15 |
| Details | NITROGENASE_1_2 Nitrogenases component 1 alpha and beta subunits signature 2. TTCmaeviGDDLnAF |
| Chain | Residue | Details |
| B | THR151-PHE165 | |
| A | SER152-VAL166 |
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 |
