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 | 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 | obsolete 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 | obsolete 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 | obsolete 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 | obsolete carbonyl sulfide nitrogenase activity |
D | 0046872 | molecular_function | metal ion binding |
D | 0051536 | molecular_function | iron-sulfur cluster 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 | obsolete carbonyl sulfide nitrogenase activity |
E | 0046872 | molecular_function | metal ion binding |
E | 0051539 | molecular_function | 4 iron, 4 sulfur cluster 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 | obsolete carbonyl sulfide nitrogenase activity |
F | 0046872 | molecular_function | metal ion binding |
F | 0051539 | molecular_function | 4 iron, 4 sulfur cluster 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 | obsolete carbonyl sulfide nitrogenase activity |
G | 0046872 | molecular_function | metal ion binding |
G | 0051539 | molecular_function | 4 iron, 4 sulfur cluster 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 | obsolete carbonyl sulfide nitrogenase activity |
H | 0046872 | molecular_function | metal ion 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 | 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 |
site_id | PS00746 |
Number of Residues | 13 |
Details | NIFH_FRXC_1 NifH/frxC family signature 1. EsGGPepGvGCAG |
Chain | Residue | Details |
E | GLU87-GLY99 |
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 |