2.300 Å
X-ray
1998-12-09
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 |
---|---|
B | 100 % |
B-Factor: | 11.665 |
---|---|
Number of residues: | 24 |
Including | |
Standard Amino Acids: | 23 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 0 |
Cofactors: | |
Metals: | ZN |
Ligandability | Volume (Å3) |
---|---|
0.907 | 543.375 |
% Hydrophobic | % Polar |
---|---|
42.86 | 57.14 |
According to VolSite |
HET Code: | S27 |
---|---|
Formula: | C20H27N2O3P |
Molecular weight: | 374.414 g/mol |
DrugBank ID: | DB08507 |
Buried Surface Area: | 49.78 % |
Polar Surface area: | 79.45 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 3 |
H-Bond Donors: | 2 |
Rings: | 2 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 8 |
X | Y | Z |
---|---|---|
-21.8568 | 28.6731 | -0.317462 |
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 |
C18 | CG1 | VAL- 163 | 4.3 | 0 | Hydrophobic |
C10 | CG1 | VAL- 163 | 3.82 | 0 | Hydrophobic |
C13 | CG2 | VAL- 163 | 3.65 | 0 | Hydrophobic |
C6 | CD1 | LEU- 164 | 4.2 | 0 | Hydrophobic |
C9 | CG | LEU- 164 | 3.57 | 0 | Hydrophobic |
O8 | N | LEU- 164 | 2.74 | 144.7 | H-Bond (Protein Donor) |
O8 | N | ALA- 165 | 3.19 | 152.12 | H-Bond (Protein Donor) |
NA | O | ALA- 165 | 3.07 | 152.17 | H-Bond (Ligand Donor) |
C10 | CB | HIS- 166 | 3.72 | 0 | Hydrophobic |
C5 | CG1 | VAL- 198 | 3.67 | 0 | Hydrophobic |
DuAr | DuAr | HIS- 201 | 3.98 | 0 | Aromatic Face/Face |
C4 | CB | HIS- 201 | 3.85 | 0 | Hydrophobic |
C4 | CB | TYR- 223 | 3.9 | 0 | Hydrophobic |
OA | ZN | ZN- 301 | 1.88 | 0 | Metal Acceptor |
OB | ZN | ZN- 301 | 2.01 | 0 | Metal Acceptor |