sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Å
NMR
1998-06-18
| Name: | Stromelysin-1 |
|---|---|
| ID: | MMP3_HUMAN |
| AC: | P08254 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 3.4.24.17 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 0.000 |
|---|---|
| Number of residues: | 22 |
| Including | |
| Standard Amino Acids: | 21 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.086 | 256.500 |
| % Hydrophobic | % Polar |
|---|---|
| 43.42 | 56.58 |
| According to VolSite | |
| HET Code: | ATT |
|---|---|
| Formula: | C13H14N5O2S2 |
| Molecular weight: | 336.413 g/mol |
| DrugBank ID: | DB07390 |
| Buried Surface Area: | 46.83 % |
| Polar Surface area: | 144.14 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 3 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| -6.8805 | 2.34505 | 9.27973 |
Image generated by PoseView
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 | CZ | TYR- 73 | 4.33 | 0 | Hydrophobic |
| C7 | CB | HIS- 84 | 4.01 | 0 | Hydrophobic |
| N4 | N | ALA- 85 | 3.47 | 145.32 | H-Bond (Protein Donor) |
| N | O | ALA- 85 | 2.99 | 169.98 | H-Bond (Ligand Donor) |
| N3 | OE2 | GLU- 120 | 2.79 | 122.62 | H-Bond (Ligand Donor) |
