2.750 Å
X-ray
2011-11-09
Name: | Actin-related protein 3 |
---|---|
ID: | ARP3_BOVIN |
AC: | P61157 |
Organism: | Bos taurus |
Reign: | Eukaryota |
TaxID: | 9913 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 56.827 |
---|---|
Number of residues: | 33 |
Including | |
Standard Amino Acids: | 32 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.155 | 1431.000 |
% Hydrophobic | % Polar |
---|---|
44.10 | 55.90 |
According to VolSite |
HET Code: | C69 |
---|---|
Formula: | C17H16BrNO3S |
Molecular weight: | 394.283 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 68.86 % |
Polar Surface area: | 64.07 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 4 |
H-Bond Donors: | 0 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 4 |
X | Y | Z |
---|---|---|
12.8472 | 18.1152 | 52.6169 |
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 |
CAU | SG | CYS- 12 | 3.96 | 0 | Hydrophobic |
CAL | CG | GLU- 84 | 4.24 | 0 | Hydrophobic |
CAO | CB | GLU- 84 | 3.67 | 0 | Hydrophobic |
BRA | CZ3 | TRP- 86 | 4.32 | 0 | Hydrophobic |
CAP | CH2 | TRP- 86 | 3.46 | 0 | Hydrophobic |
CAN | SD | MET- 89 | 3.91 | 0 | Hydrophobic |
CAC | CE | MET- 89 | 3.8 | 0 | Hydrophobic |
CAJ | CG | MET- 89 | 4.17 | 0 | Hydrophobic |
CAU | CE | MET- 89 | 3.94 | 0 | Hydrophobic |
CAV | CG | MET- 93 | 3.9 | 0 | Hydrophobic |
SAS | CB | LEU- 112 | 4.37 | 0 | Hydrophobic |
CAT | CB | LEU- 112 | 4.19 | 0 | Hydrophobic |
CAV | CD1 | LEU- 112 | 4.12 | 0 | Hydrophobic |
SAS | CB | GLU- 114 | 3.73 | 0 | Hydrophobic |
CAB | CG | PRO- 115 | 4.37 | 0 | Hydrophobic |
OAW | ND2 | ASN- 118 | 2.95 | 143.96 | H-Bond (Protein Donor) |
CAR | CB | THR- 126 | 3.61 | 0 | Hydrophobic |
SAS | CG2 | THR- 126 | 4.28 | 0 | Hydrophobic |
CAI | CG2 | THR- 126 | 3.66 | 0 | Hydrophobic |
BRA | CD1 | ILE- 129 | 3.73 | 0 | Hydrophobic |
CAR | CD1 | ILE- 141 | 4.21 | 0 | Hydrophobic |
SAS | CG2 | ILE- 141 | 4.03 | 0 | Hydrophobic |