2.500 Å
X-ray
2015-05-18
Name: | Caspase-7 |
---|---|
ID: | CASP7_HUMAN |
AC: | P55210 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 3.4.22.60 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 52 % |
B | 48 % |
B-Factor: | 52.032 |
---|---|
Number of residues: | 34 |
Including | |
Standard Amino Acids: | 33 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.527 | 489.375 |
% Hydrophobic | % Polar |
---|---|
37.24 | 62.76 |
According to VolSite |
HET Code: | ASP_GLU_VAL_ACE_ASA |
---|---|
Formula: | C14H22N3O7 |
Molecular weight: | 344.340 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 51.88 % |
Polar Surface area: | 183.17 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 7 |
H-Bond Donors: | 3 |
Rings: | 0 |
Aromatic rings: | 0 |
Anionic atoms: | 2 |
Cationic atoms: | 1 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 11 |
X | Y | Z |
---|---|---|
52.6911 | -25.5924 | -1.75657 |
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 |
CB | SG | CYS- 186 | 4.21 | 0 | Hydrophobic |
CB | CB | VAL- 230 | 4.04 | 0 | Hydrophobic |
CG1 | SD | MET- 232 | 3.98 | 0 | Hydrophobic |
O | N | ARG- 233 | 3.34 | 127.67 | H-Bond (Protein Donor) |
O | N | ARG- 233 | 2.93 | 168.88 | H-Bond (Protein Donor) |
OE1 | NH1 | ARG- 233 | 2.97 | 162.82 | H-Bond (Protein Donor) |
OE1 | CZ | ARG- 233 | 3.88 | 0 | Ionic (Protein Cationic) |
OD2 | N | CYS- 276 | 2.81 | 160.72 | H-Bond (Protein Donor) |
CG1 | CD2 | PHE- 282 | 3.93 | 0 | Hydrophobic |