2.900 Å
X-ray
2014-04-03
| Name: | Deoxycytidylate deaminase |
|---|---|
| ID: | H6WFU3_9CAUD |
| AC: | H6WFU3 |
| Organism: | Cyanophage S-TIM5 |
| Reign: | Viruses |
| TaxID: | 1137745 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| F | 100 % |
| B-Factor: | 38.799 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.875 | 489.375 |
| % Hydrophobic | % Polar |
|---|---|
| 52.41 | 47.59 |
| According to VolSite | |

| HET Code: | TMP |
|---|---|
| Formula: | C10H13N2O8P |
| Molecular weight: | 320.193 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 59.15 % |
| Polar Surface area: | 161.1 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 8 |
| H-Bond Donors: | 2 |
| Rings: | 2 |
| Aromatic rings: | 0 |
| Anionic atoms: | 2 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| -21.1289 | 2.20105 | 37.162 |
Image generated by PoseView
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 |
| O3P | NH2 | ARG- 24 | 3.21 | 161.13 | H-Bond (Protein Donor) |
| C5' | CB | ARG- 24 | 3.64 | 0 | Hydrophobic |
| C5' | CB | MET- 25 | 3.88 | 0 | Hydrophobic |
| C1' | CG2 | VAL- 27 | 3.77 | 0 | Hydrophobic |
| O3' | ND2 | ASN- 43 | 3.47 | 159.3 | H-Bond (Protein Donor) |
| C1' | CB | ASN- 43 | 4.23 | 0 | Hydrophobic |
| C3' | CG2 | THR- 61 | 3.77 | 0 | Hydrophobic |
| O2 | N | ALA- 68 | 3.23 | 139.98 | H-Bond (Protein Donor) |
| N3 | OE1 | GLU- 69 | 3.36 | 146.67 | H-Bond (Ligand Donor) |
| C5M | CB | CYS- 95 | 4.14 | 0 | Hydrophobic |
| C5M | CE2 | TYR- 116 | 3.69 | 0 | Hydrophobic |