1.900 Å
X-ray
2006-08-21
Name: | Disintegrin and metalloproteinase domain-containing protein 17 |
---|---|
ID: | ADA17_HUMAN |
AC: | P78536 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 3.4.24.86 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 12.724 |
---|---|
Number of residues: | 28 |
Including | |
Standard Amino Acids: | 25 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 2 |
Cofactors: | |
Metals: | ZN |
Ligandability | Volume (Å3) |
---|---|
0.320 | 448.875 |
% Hydrophobic | % Polar |
---|---|
39.85 | 60.15 |
According to VolSite |
HET Code: | INN |
---|---|
Formula: | C19H38N5O5 |
Molecular weight: | 416.536 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 51.39 % |
Polar Surface area: | 164.27 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 5 |
H-Bond Donors: | 6 |
Rings: | 0 |
Aromatic rings: | 0 |
Anionic atoms: | 0 |
Cationic atoms: | 1 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 12 |
X | Y | Z |
---|---|---|
-3.34572 | 39.5843 | 49.7018 |
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 |
N2 | O | GLY- 346 | 2.92 | 160.36 | H-Bond (Ligand Donor) |
O1 | N | LEU- 348 | 2.81 | 159.15 | H-Bond (Protein Donor) |
C12 | CD1 | LEU- 348 | 4.34 | 0 | Hydrophobic |
C3 | CD1 | LEU- 348 | 4.02 | 0 | Hydrophobic |
N | O | GLY- 349 | 3.1 | 165.45 | H-Bond (Ligand Donor) |
O3 | OH | TYR- 390 | 2.7 | 171.86 | H-Bond (Protein Donor) |
C12 | CE1 | TYR- 390 | 4.22 | 0 | Hydrophobic |
C3 | CG2 | VAL- 402 | 4.01 | 0 | Hydrophobic |
C3 | CB | HIS- 405 | 4.12 | 0 | Hydrophobic |
O4 | OE1 | GLU- 406 | 2.73 | 157.23 | H-Bond (Protein Donor) |
N1 | O | PRO- 437 | 3.3 | 168.38 | H-Bond (Ligand Donor) |
O2 | N | ALA- 439 | 2.89 | 163.13 | H-Bond (Protein Donor) |
C12 | CB | ALA- 439 | 4.3 | 0 | Hydrophobic |
C2 | CB | ALA- 439 | 3.9 | 0 | Hydrophobic |
O | ZN | ZN- 802 | 2.14 | 0 | Metal Acceptor |
O4 | ZN | ZN- 802 | 2.08 | 0 | Metal Acceptor |
O4 | O | HOH- 958 | 2.65 | 147.49 | H-Bond (Protein Donor) |