1.900 Å
X-ray
2001-02-26
Name: | Chemotaxis protein CheA |
---|---|
ID: | CHEA_THEMA |
AC: | Q56310 |
Organism: | Thermotoga maritima |
Reign: | Bacteria |
TaxID: | 243274 |
EC Number: | 2.7.13.3 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 24.184 |
---|---|
Number of residues: | 37 |
Including | |
Standard Amino Acids: | 35 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 1 |
Cofactors: | |
Metals: | MN |
Ligandability | Volume (Å3) |
---|---|
0.688 | 600.750 |
% Hydrophobic | % Polar |
---|---|
49.44 | 50.56 |
According to VolSite |
HET Code: | ACP |
---|---|
Formula: | C11H14N5O12P3 |
Molecular weight: | 501.176 g/mol |
DrugBank ID: | DB03909 |
Buried Surface Area: | 56.02 % |
Polar Surface area: | 310.64 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 16 |
H-Bond Donors: | 3 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 4 |
Cationic atoms: | 0 |
Rule of Five Violation: | 2 |
Rotatable Bonds: | 8 |
X | Y | Z |
---|---|---|
23.9933 | 26.1482 | 71.3242 |
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 |
N1 | O | HOH- 5 | 2.79 | 146.69 | H-Bond (Ligand Donor) |
O1A | ND2 | ASN- 409 | 2.87 | 150.97 | H-Bond (Protein Donor) |
O2B | NE2 | HIS- 413 | 2.75 | 156.77 | H-Bond (Protein Donor) |
C2' | CB | HIS- 413 | 4.07 | 0 | Hydrophobic |
N6 | OD2 | ASP- 449 | 3.04 | 156.04 | H-Bond (Ligand Donor) |
C5' | CG | LEU- 486 | 4.45 | 0 | Hydrophobic |
C4' | CD1 | LEU- 486 | 4.18 | 0 | Hydrophobic |
C1' | CD2 | LEU- 486 | 4.5 | 0 | Hydrophobic |
C5' | CB | SER- 492 | 4.25 | 0 | Hydrophobic |
O2A | N | MET- 507 | 2.71 | 166.95 | H-Bond (Protein Donor) |
C5' | CE | MET- 507 | 3.75 | 0 | Hydrophobic |
O2G | MN | MN- 996 | 2.44 | 0 | Metal Acceptor |
O2B | MN | MN- 996 | 2.2 | 0 | Metal Acceptor |
O1A | MN | MN- 996 | 2.44 | 0 | Metal Acceptor |