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 |
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 |