1.400 Å
X-ray
2010-04-09
Name: | Nitrogen regulatory protein P-II 1 |
---|---|
ID: | P70731_AZOBR |
AC: | P70731 |
Organism: | Azospirillum brasilense |
Reign: | Bacteria |
TaxID: | 192 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 56 % |
C | 44 % |
B-Factor: | 18.802 |
---|---|
Number of residues: | 40 |
Including | |
Standard Amino Acids: | 35 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 4 |
Cofactors: | |
Metals: | MG |
Ligandability | Volume (Å3) |
---|---|
0.504 | 489.375 |
% Hydrophobic | % Polar |
---|---|
54.48 | 45.52 |
According to VolSite |
HET Code: | ATP |
---|---|
Formula: | C10H12N5O13P3 |
Molecular weight: | 503.149 g/mol |
DrugBank ID: | DB00171 |
Buried Surface Area: | 81.03 % |
Polar Surface area: | 319.88 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 17 |
H-Bond Donors: | 3 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 4 |
Cationic atoms: | 0 |
Rule of Five Violation: | 2 |
Rotatable Bonds: | 8 |
X | Y | Z |
---|---|---|
0.280581 | 17.0849 | 5.87471 |
Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand
Ligand | Protein | Interaction | |||
---|---|---|---|---|---|
Atom | Atom | Residue | Distance (Å) | Angle (°) | Type |
C4' | CG2 | ILE- 7 | 3.76 | 0 | Hydrophobic |
C1' | CG2 | ILE- 7 | 4.01 | 0 | Hydrophobic |
O2' | OG1 | THR- 29 | 2.84 | 154.18 | H-Bond (Ligand Donor) |
N3 | OG1 | THR- 29 | 2.89 | 156.59 | H-Bond (Protein Donor) |
O1G | NH1 | ARG- 38 | 2.91 | 169.09 | H-Bond (Protein Donor) |
O1B | N | ARG- 38 | 2.84 | 150.35 | H-Bond (Protein Donor) |
O1G | CZ | ARG- 38 | 3.65 | 0 | Ionic (Protein Cationic) |
O1G | NE2 | GLN- 39 | 3.04 | 161.31 | H-Bond (Protein Donor) |
C4' | CD | LYS- 58 | 4.47 | 0 | Hydrophobic |
N6 | O | ALA- 64 | 3.07 | 163.22 | H-Bond (Ligand Donor) |
N1 | N | ALA- 64 | 2.91 | 174.34 | H-Bond (Protein Donor) |
O2G | N | GLY- 87 | 2.86 | 141.46 | H-Bond (Protein Donor) |
O2A | N | GLY- 89 | 2.79 | 132.77 | H-Bond (Protein Donor) |
O2B | NZ | LYS- 90 | 2.95 | 138.85 | H-Bond (Protein Donor) |
N7 | NZ | LYS- 90 | 2.99 | 160.84 | H-Bond (Protein Donor) |
O2B | NZ | LYS- 90 | 2.95 | 0 | Ionic (Protein Cationic) |
O2B | NE | ARG- 101 | 3 | 152.93 | H-Bond (Protein Donor) |
O2B | NH2 | ARG- 101 | 3.08 | 144.71 | H-Bond (Protein Donor) |
O3B | NE | ARG- 101 | 3.21 | 138.38 | H-Bond (Protein Donor) |
O2B | CZ | ARG- 101 | 3.48 | 0 | Ionic (Protein Cationic) |
O1G | CZ | ARG- 103 | 3.86 | 0 | Ionic (Protein Cationic) |
O3G | CZ | ARG- 103 | 3.64 | 0 | Ionic (Protein Cationic) |
O1G | NH2 | ARG- 103 | 3.06 | 172.52 | H-Bond (Protein Donor) |
O3G | NE | ARG- 103 | 2.79 | 153.27 | H-Bond (Protein Donor) |
N6 | O | LEU- 112 | 3 | 155.15 | H-Bond (Ligand Donor) |
O2G | MG | MG- 115 | 2.03 | 0 | Metal Acceptor |
O1B | MG | MG- 115 | 2.08 | 0 | Metal Acceptor |
O1A | MG | MG- 115 | 2.07 | 0 | Metal Acceptor |
O3G | O | HOH- 123 | 2.8 | 137.17 | H-Bond (Protein Donor) |
O2B | O | HOH- 203 | 2.92 | 179.96 | H-Bond (Protein Donor) |