1.900 Å
X-ray
2011-03-04
Name: | Response regulator |
---|---|
ID: | Q8P559_XANCP |
AC: | Q8P559 |
Organism: | Xanthomonas campestris pv. campestris |
Reign: | Bacteria |
TaxID: | 190485 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 35 % |
B | 65 % |
B-Factor: | 18.995 |
---|---|
Number of residues: | 37 |
Including | |
Standard Amino Acids: | 32 |
Non Standard Amino Acids: | 3 |
Water Molecules: | 2 |
Cofactors: | |
Metals: | MG MG |
Ligandability | Volume (Å3) |
---|---|
0.523 | 1825.875 |
% Hydrophobic | % Polar |
---|---|
34.20 | 65.80 |
According to VolSite |
HET Code: | C2E |
---|---|
Formula: | C20H22N10O14P2 |
Molecular weight: | 688.395 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 48.05 % |
Polar Surface area: | 366.32 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 20 |
H-Bond Donors: | 6 |
Rings: | 7 |
Aromatic rings: | 2 |
Anionic atoms: | 2 |
Cationic atoms: | 0 |
Rule of Five Violation: | 3 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
74.7193 | 33.828 | 47.1723 |
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 |
O2P | NH1 | ARG- 146 | 3.44 | 128.1 | H-Bond (Protein Donor) |
O2P | NH2 | ARG- 146 | 3.06 | 138.29 | H-Bond (Protein Donor) |
C1A | CD2 | LEU- 177 | 3.46 | 0 | Hydrophobic |
O2A | ND2 | ASN- 181 | 2.89 | 136.42 | H-Bond (Protein Donor) |
N31 | ND2 | ASN- 181 | 3.04 | 149.41 | H-Bond (Protein Donor) |
N21 | OD1 | ASN- 181 | 2.92 | 175.62 | H-Bond (Ligand Donor) |
N21 | O | HIS- 186 | 2.93 | 132.41 | H-Bond (Ligand Donor) |
N11 | OD1 | ASP- 190 | 2.64 | 152.9 | H-Bond (Ligand Donor) |
N21 | OD1 | ASP- 190 | 3 | 132.99 | H-Bond (Ligand Donor) |
O61 | NH2 | ARG- 212 | 2.77 | 151.8 | H-Bond (Protein Donor) |
O1P | NE1 | TRP- 213 | 2.83 | 167.9 | H-Bond (Protein Donor) |
C1' | CB | GLU- 217 | 4.39 | 0 | Hydrophobic |
O11 | MG | MG- 506 | 1.99 | 0 | Metal Acceptor |