1.700 Å
X-ray
2010-04-16
Min | Mean | Median | Standard Deviation | Max | Count | |
---|---|---|---|---|---|---|
pChEMBL: | 7.210 | 7.210 | 7.210 | 0.000 | 7.210 | 1 |
Name: | Coagulation factor X |
---|---|
ID: | FA10_HUMAN |
AC: | P00742 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 3.4.21.6 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 30.331 |
---|---|
Number of residues: | 38 |
Including | |
Standard Amino Acids: | 38 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.676 | 367.875 |
% Hydrophobic | % Polar |
---|---|
47.71 | 52.29 |
According to VolSite |
HET Code: | OYJ |
---|---|
Formula: | C24H21ClF2N4O5S |
Molecular weight: | 550.962 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 64.3 % |
Polar Surface area: | 124.26 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 5 |
H-Bond Donors: | 2 |
Rings: | 4 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 6 |
X | Y | Z |
---|---|---|
9.77386 | 63.9945 | 3.81549 |
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 |
F34 | CZ | TYR- 99 | 3.54 | 0 | Hydrophobic |
C33 | CG | GLU- 147 | 3.51 | 0 | Hydrophobic |
C26 | CB | ALA- 190 | 3.69 | 0 | Hydrophobic |
C9 | SG | CYS- 191 | 4.5 | 0 | Hydrophobic |
C9 | CB | GLN- 192 | 3.94 | 0 | Hydrophobic |
F35 | CB | VAL- 213 | 4.15 | 0 | Hydrophobic |
CL | CG1 | VAL- 213 | 3.82 | 0 | Hydrophobic |
C17 | CG1 | VAL- 213 | 3.88 | 0 | Hydrophobic |
C29 | CB | TRP- 215 | 4.4 | 0 | Hydrophobic |
C16 | CB | TRP- 215 | 3.54 | 0 | Hydrophobic |
N14 | O | GLY- 218 | 2.89 | 142.47 | H-Bond (Ligand Donor) |
C36 | SG | CYS- 220 | 4.33 | 0 | Hydrophobic |
C9 | SG | CYS- 220 | 3.49 | 0 | Hydrophobic |
CL | CZ | TYR- 228 | 3.57 | 0 | Hydrophobic |