2.470 Å
X-ray
2012-01-11
Name: | D-cysteine desulfhydrase |
---|---|
ID: | DCYD_SALTY |
AC: | Q8ZNT7 |
Organism: | Salmonella typhimurium |
Reign: | Bacteria |
TaxID: | 99287 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
C | 100 % |
B-Factor: | 16.364 |
---|---|
Number of residues: | 42 |
Including | |
Standard Amino Acids: | 39 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 3 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.611 | 732.375 |
% Hydrophobic | % Polar |
---|---|
41.47 | 58.53 |
According to VolSite |
HET Code: | LCS |
---|---|
Formula: | C11H12N3O7P |
Molecular weight: | 329.203 g/mol |
DrugBank ID: | DB03787 |
Buried Surface Area: | 75.41 % |
Polar Surface area: | 166.04 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 9 |
H-Bond Donors: | 2 |
Rings: | 2 |
Aromatic rings: | 1 |
Anionic atoms: | 2 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 5 |
X | Y | Z |
---|---|---|
24.3675 | 71.4907 | 8.70264 |
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 |
O4P | ND2 | ASN- 50 | 3.29 | 128.73 | H-Bond (Protein Donor) |
O1P | NZ | LYS- 51 | 3.32 | 161.9 | H-Bond (Protein Donor) |
O1P | NZ | LYS- 51 | 3.32 | 0 | Ionic (Protein Cationic) |
O3P | NZ | LYS- 51 | 2.89 | 0 | Ionic (Protein Cationic) |
O | OG | SER- 78 | 3.25 | 150.09 | H-Bond (Protein Donor) |
O3 | ND2 | ASN- 79 | 2.69 | 168.26 | H-Bond (Protein Donor) |
O2P | N | GLY- 194 | 3 | 165.24 | H-Bond (Protein Donor) |
O1P | OG | SER- 195 | 2.63 | 164.06 | H-Bond (Protein Donor) |
O1P | N | SER- 195 | 2.8 | 140.19 | H-Bond (Protein Donor) |
CB | CB | SER- 195 | 4.02 | 0 | Hydrophobic |
O1P | N | ALA- 196 | 3.44 | 133.18 | H-Bond (Protein Donor) |
O2P | N | ALA- 196 | 3.21 | 148.8 | H-Bond (Protein Donor) |
O4P | OG1 | THR- 198 | 3.46 | 143.14 | H-Bond (Protein Donor) |
O3P | N | THR- 198 | 2.99 | 155.3 | H-Bond (Protein Donor) |
O3P | OG1 | THR- 198 | 2.57 | 155.06 | H-Bond (Protein Donor) |
C2A | CB | TYR- 287 | 3.69 | 0 | Hydrophobic |
C3 | CB | TYR- 287 | 4.4 | 0 | Hydrophobic |
C5A | CD1 | TYR- 287 | 4.11 | 0 | Hydrophobic |
CB | CE1 | TYR- 287 | 3.78 | 0 | Hydrophobic |
OG | OH | TYR- 287 | 3.46 | 161.83 | H-Bond (Protein Donor) |
DuAr | DuAr | TYR- 287 | 3.61 | 0 | Aromatic Face/Face |
C2A | CG2 | THR- 288 | 4.4 | 0 | Hydrophobic |
N1 | OG1 | THR- 315 | 2.76 | 162.58 | H-Bond (Protein Donor) |
C2A | CB | THR- 315 | 4.02 | 0 | Hydrophobic |
O | O | HOH- 518 | 3.35 | 159.68 | H-Bond (Protein Donor) |