2.800 Å
X-ray
2006-08-03
Name: | Focal adhesion kinase 1 |
---|---|
ID: | FAK1_CHICK |
AC: | Q00944 |
Organism: | Gallus gallus |
Reign: | Eukaryota |
TaxID: | 9031 |
EC Number: | 2.7.10.2 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 70.861 |
---|---|
Number of residues: | 31 |
Including | |
Standard Amino Acids: | 31 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.215 | 469.125 |
% Hydrophobic | % Polar |
---|---|
56.83 | 43.17 |
According to VolSite |
HET Code: | 4ST |
---|---|
Formula: | C28H31N4O3 |
Molecular weight: | 471.571 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 58.59 % |
Polar Surface area: | 74.03 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 3 |
H-Bond Donors: | 2 |
Rings: | 8 |
Aromatic rings: | 4 |
Anionic atoms: | 0 |
Cationic atoms: | 1 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
-21.8915 | -41.8613 | 8.8096 |
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 |
CBB | CG1 | ILE- 428 | 4.5 | 0 | Hydrophobic |
CAL | CG1 | ILE- 428 | 4.16 | 0 | Hydrophobic |
CAJ | CB | ILE- 428 | 4.13 | 0 | Hydrophobic |
CAK | CD1 | ILE- 428 | 3.72 | 0 | Hydrophobic |
CAZ | CD1 | ILE- 428 | 3.99 | 0 | Hydrophobic |
CAC | CG2 | VAL- 436 | 3.83 | 0 | Hydrophobic |
CAY | CG2 | VAL- 436 | 3.74 | 0 | Hydrophobic |
CBC | CG1 | VAL- 436 | 3.97 | 0 | Hydrophobic |
CAW | CB | ALA- 452 | 4.21 | 0 | Hydrophobic |
CAE | CD | LYS- 454 | 3.83 | 0 | Hydrophobic |
CAG | SD | MET- 499 | 3.95 | 0 | Hydrophobic |
NAP | O | GLU- 500 | 3 | 155.95 | H-Bond (Ligand Donor) |
CAK | CD1 | LEU- 501 | 4.01 | 0 | Hydrophobic |
OAD | N | CYS- 502 | 2.96 | 156.01 | H-Bond (Protein Donor) |
NAO | OE1 | GLU- 506 | 3.32 | 156.49 | H-Bond (Ligand Donor) |
NAO | OE1 | GLU- 506 | 3.32 | 0 | Ionic (Ligand Cationic) |
NAO | O | ARG- 550 | 3.02 | 132.07 | H-Bond (Ligand Donor) |
CAB | CD2 | LEU- 553 | 3.7 | 0 | Hydrophobic |
CAZ | CD2 | LEU- 553 | 3.72 | 0 | Hydrophobic |
CAW | CD1 | LEU- 553 | 3.45 | 0 | Hydrophobic |
CAF | CB | ASP- 564 | 4.19 | 0 | Hydrophobic |