2.800 Å
X-ray
2001-05-07
Name: | Gag-Pol polyprotein |
---|---|
ID: | POL_HV1B1 |
AC: | P03366 |
Organism: | Human immunodeficiency virus type 1 group M subtype B |
Reign: | Viruses |
TaxID: | 11678 |
EC Number: | 2.7.7.49 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 93 % |
B | 7 % |
B-Factor: | 42.001 |
---|---|
Number of residues: | 30 |
Including | |
Standard Amino Acids: | 30 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.354 | 462.375 |
% Hydrophobic | % Polar |
---|---|
71.53 | 28.47 |
According to VolSite |
HET Code: | PNU |
---|---|
Formula: | C13H11ClN4OS |
Molecular weight: | 306.771 g/mol |
DrugBank ID: | DB08414 |
Buried Surface Area: | 76.38 % |
Polar Surface area: | 103.13 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 5 |
H-Bond Donors: | 1 |
Rings: | 3 |
Aromatic rings: | 3 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 3 |
X | Y | Z |
---|---|---|
-10.3966 | 141.925 | 174.646 |
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 | CD2 | LEU- 100 | 4.39 | 0 | Hydrophobic |
S17 | CG | LEU- 100 | 4.47 | 0 | Hydrophobic |
C12 | CD2 | LEU- 100 | 4.11 | 0 | Hydrophobic |
N18 | O | LYS- 101 | 2.96 | 149.86 | H-Bond (Ligand Donor) |
N2 | ND2 | ASN- 103 | 3.28 | 139.81 | H-Bond (Protein Donor) |
CL19 | CG2 | VAL- 106 | 3.94 | 0 | Hydrophobic |
S17 | CG1 | VAL- 179 | 4.45 | 0 | Hydrophobic |
C21 | CG1 | VAL- 179 | 4.15 | 0 | Hydrophobic |
C21 | CB | TYR- 181 | 3.94 | 0 | Hydrophobic |
C11 | CB | TYR- 181 | 4.35 | 0 | Hydrophobic |
C11 | CB | TYR- 188 | 3.74 | 0 | Hydrophobic |
C21 | CB | TYR- 188 | 3.99 | 0 | Hydrophobic |
CL19 | CD2 | PHE- 227 | 3.56 | 0 | Hydrophobic |
CL19 | CB | LEU- 234 | 3.42 | 0 | Hydrophobic |
N18 | O | PRO- 236 | 3.43 | 131.15 | H-Bond (Ligand Donor) |