2.800 Å
X-ray
2002-04-04
Name: | N-(5'-phosphoribosyl)anthranilate isomerase |
---|---|
ID: | TRPF_THEMA |
AC: | Q56320 |
Organism: | Thermotoga maritima |
Reign: | Bacteria |
TaxID: | 243274 |
EC Number: | 5.3.1.24 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 24.009 |
---|---|
Number of residues: | 29 |
Including | |
Standard Amino Acids: | 28 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.107 | 293.625 |
% Hydrophobic | % Polar |
---|---|
34.48 | 65.52 |
According to VolSite |
HET Code: | 137 |
---|---|
Formula: | C12H15NO9P |
Molecular weight: | 348.223 g/mol |
DrugBank ID: | DB03543 |
Buried Surface Area: | 62.16 % |
Polar Surface area: | 195.08 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 10 |
H-Bond Donors: | 4 |
Rings: | 1 |
Aromatic rings: | 1 |
Anionic atoms: | 3 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 9 |
X | Y | Z |
---|---|---|
11.4646 | 30.8928 | 63.0752 |
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 |
C1' | SG | CYS- 7 | 3.78 | 0 | Hydrophobic |
C1' | CG2 | VAL- 29 | 4.29 | 0 | Hydrophobic |
C2 | CG2 | VAL- 29 | 3.97 | 0 | Hydrophobic |
C6 | CG1 | VAL- 29 | 4.17 | 0 | Hydrophobic |
C6 | CB | SER- 34 | 3.87 | 0 | Hydrophobic |
O71 | OG | SER- 34 | 2.88 | 155.47 | H-Bond (Protein Donor) |
O71 | NE | ARG- 36 | 3.06 | 170.08 | H-Bond (Protein Donor) |
O72 | NE | ARG- 36 | 2.85 | 121 | H-Bond (Protein Donor) |
O71 | CZ | ARG- 36 | 3.94 | 0 | Ionic (Protein Cationic) |
O72 | CZ | ARG- 36 | 3.89 | 0 | Ionic (Protein Cationic) |
C1' | CG2 | VAL- 59 | 4.29 | 0 | Hydrophobic |
C3 | CG1 | VAL- 59 | 3.79 | 0 | Hydrophobic |
C4 | CG2 | VAL- 61 | 4.15 | 0 | Hydrophobic |
O2' | OE1 | GLN- 81 | 2.97 | 157.73 | H-Bond (Ligand Donor) |
O4' | OD1 | ASP- 126 | 3.22 | 138.28 | H-Bond (Ligand Donor) |
O1P | N | GLY- 159 | 2.58 | 150.1 | H-Bond (Protein Donor) |
O3' | OD2 | ASP- 178 | 3.13 | 170.15 | H-Bond (Ligand Donor) |
O3P | N | SER- 180 | 2.87 | 155.1 | H-Bond (Protein Donor) |
O3' | OG | SER- 180 | 2.98 | 147.16 | H-Bond (Protein Donor) |
C3' | CB | SER- 180 | 4.4 | 0 | Hydrophobic |
O2P | OG | SER- 181 | 3.14 | 168.68 | H-Bond (Protein Donor) |
O3P | N | SER- 181 | 2.79 | 148.92 | H-Bond (Protein Donor) |
O3P | OG | SER- 181 | 3.34 | 122.06 | H-Bond (Protein Donor) |
O3P | O | HOH- 403 | 3.43 | 145.99 | H-Bond (Protein Donor) |