1G20
MGATP-BOUND AND NUCLEOTIDE-FREE STRUCTURES OF A NITROGENASE PROTEIN COMPLEX BETWEEN LEU127DEL-FE PROTEIN AND THE MOFE PROTEIN
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| 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 | 0000166 | molecular_function | nucleotide 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 | 0000166 | molecular_function | nucleotide 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 | 0000166 | molecular_function | nucleotide 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 |
| E | 0000166 | molecular_function | nucleotide binding |
| E | 0005524 | molecular_function | ATP binding |
| E | 0009399 | biological_process | nitrogen fixation |
| E | 0016163 | molecular_function | nitrogenase activity |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0018697 | molecular_function | carbonyl sulfide nitrogenase activity |
| E | 0046872 | molecular_function | metal ion binding |
| E | 0051536 | molecular_function | iron-sulfur cluster binding |
| E | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| F | 0000166 | molecular_function | nucleotide binding |
| F | 0005524 | molecular_function | ATP binding |
| F | 0009399 | biological_process | nitrogen fixation |
| F | 0016163 | molecular_function | nitrogenase activity |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0018697 | molecular_function | carbonyl sulfide nitrogenase activity |
| F | 0046872 | molecular_function | metal ion binding |
| F | 0051536 | molecular_function | iron-sulfur cluster binding |
| F | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| G | 0000166 | molecular_function | nucleotide binding |
| G | 0005524 | molecular_function | ATP binding |
| G | 0009399 | biological_process | nitrogen fixation |
| G | 0016163 | molecular_function | nitrogenase activity |
| G | 0016491 | molecular_function | oxidoreductase activity |
| G | 0018697 | molecular_function | carbonyl sulfide nitrogenase activity |
| G | 0046872 | molecular_function | metal ion binding |
| G | 0051536 | molecular_function | iron-sulfur cluster binding |
| G | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| H | 0000166 | molecular_function | nucleotide binding |
| H | 0005524 | molecular_function | ATP binding |
| H | 0009399 | biological_process | nitrogen fixation |
| H | 0016163 | molecular_function | nitrogenase activity |
| H | 0016491 | molecular_function | oxidoreductase activity |
| H | 0018697 | molecular_function | carbonyl sulfide nitrogenase activity |
| H | 0046872 | molecular_function | metal ion binding |
| H | 0051536 | molecular_function | iron-sulfur cluster binding |
| H | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA D 524 |
| Chain | Residue |
| B | ARG108 |
| B | GLU109 |
| B | HOH1499 |
| D | ASP353 |
| D | ASP357 |
| D | HOH3499 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA B 524 |
| Chain | Residue |
| D | ARG108 |
| D | GLU109 |
| D | HOH3500 |
| B | ASP353 |
| B | ASP357 |
| B | HOH1500 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SF4 E 5290 |
| Chain | Residue |
| A | LEU158 |
| B | VAL157 |
| E | CYS97 |
| E | ALA98 |
| E | GLY99 |
| E | CYS132 |
| F | CYS97 |
| F | ALA98 |
| F | GLY99 |
| F | CYS132 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE SF4 G 7290 |
| Chain | Residue |
| C | LEU158 |
| C | HOH3508 |
| D | VAL157 |
| G | CYS97 |
| G | ALA98 |
| G | GLY99 |
| G | CYS132 |
| H | CYS97 |
| H | ALA98 |
| H | GLY99 |
| H | CYS132 |
| site_id | AC5 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE HCA A 1494 |
| Chain | Residue |
| A | ARG96 |
| A | GLN191 |
| A | GLY424 |
| A | ILE425 |
| A | LYS426 |
| A | HIS442 |
| A | CFM1496 |
| A | HOH1502 |
| A | HOH1509 |
| A | HOH1511 |
| A | HOH1522 |
| A | HOH1529 |
| A | HOH1544 |
| A | HOH1561 |
| A | HOH1570 |
| A | HOH1626 |
| site_id | AC6 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE HCA C 3494 |
| Chain | Residue |
| C | ARG96 |
| C | GLN191 |
| C | GLY424 |
| C | ILE425 |
| C | LYS426 |
| C | HIS442 |
| C | CFM3496 |
| C | HOH3530 |
| C | HOH3565 |
| C | HOH3587 |
| C | HOH3598 |
| site_id | AC7 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE CFM A 1496 |
| Chain | Residue |
| A | VAL70 |
| A | ARG96 |
| A | HIS195 |
| A | TYR229 |
| A | CYS275 |
| A | SER278 |
| A | GLY356 |
| A | GLY357 |
| A | ARG359 |
| A | PHE381 |
| A | HIS442 |
| A | HCA1494 |
| site_id | AC8 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE CFM C 3496 |
| Chain | Residue |
| C | ARG96 |
| C | HIS195 |
| C | TYR229 |
| C | CYS275 |
| C | GLY356 |
| C | GLY357 |
| C | ARG359 |
| C | PHE381 |
| C | HIS442 |
| C | HCA3494 |
| site_id | AC9 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE CLF B 1498 |
| Chain | Residue |
| A | CYS62 |
| A | TYR64 |
| A | PRO85 |
| A | GLY87 |
| A | CYS88 |
| A | TYR91 |
| A | CYS154 |
| A | GLY185 |
| B | CYS70 |
| B | SER92 |
| B | GLY94 |
| B | CYS95 |
| B | TYR98 |
| B | CYS153 |
| B | SER188 |
| site_id | BC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE CLF D 3498 |
| Chain | Residue |
| C | PRO85 |
| C | GLY87 |
| C | CYS88 |
| C | CYS154 |
| C | GLY185 |
| D | CYS70 |
| D | PRO72 |
| D | SER92 |
| D | CYS95 |
| D | TYR98 |
| D | CYS153 |
| D | SER188 |
| C | CYS62 |
| C | TYR64 |
Functional Information from PROSITE/UniProt
| site_id | PS00746 |
| Number of Residues | 13 |
| Details | NIFH_FRXC_1 NifH/frxC family signature 1. EsGGPepGvGCAG |
| Chain | Residue | Details |
| E | GLU87-GLY99 |
| 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 |
| 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 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 10 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | CYS62 | |
| C | HIS442 | |
| H | ALA98 | |
| H | GLY134 | |
| A | CYS88 | |
| A | CYS154 | |
| A | CYS275 | |
| A | HIS442 | |
| C | CYS62 | |
| C | CYS88 | |
| C | CYS154 | |
| C | CYS275 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | MOD_RES: ADP-ribosylarginine; by dinitrogenase reductase ADP-ribosyltransferase => ECO:0000250 |
| Chain | Residue | Details |
| E | GLY101 | |
| F | GLY101 | |
| G | GLY101 | |
| H | GLY101 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 212 |
| Chain | Residue | Details |
| A | CYS62 | metal ligand |
| A | ALA65 | polar/non-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 | 4 |
| Details | M-CSA 212 |
| Chain | Residue | Details |
| C | CYS62 | metal ligand |
| C | ALA65 | polar/non-polar interaction, single electron acceptor, single electron donor, single electron relay |
| C | ARG96 | activator, hydrogen bond donor |
| C | HIS195 | activator, polar interaction |
| site_id | MCSA3 |
| Number of Residues | 4 |
| Details | M-CSA 212 |
| Chain | Residue | Details |
| G | GLY11 | electrostatic stabiliser, hydrogen bond donor |
| G | SER16 | electrostatic stabiliser, hydrogen bond donor |
| G | ALA42 | electrostatic stabiliser, hydrogen bond donor |
| G | VAL131 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA4 |
| Number of Residues | 4 |
| Details | M-CSA 212 |
| Chain | Residue | Details |
| H | GLY11 | electrostatic stabiliser, hydrogen bond donor |
| H | SER16 | electrostatic stabiliser, hydrogen bond donor |
| H | ALA42 | electrostatic stabiliser, hydrogen bond donor |
| H | VAL131 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
