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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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Protein Data Bank Entry:

1waj

2.800 Å

X-ray

1997-04-13

Interactomes:
Molecular Function:
Binding Site :

Uniprot Annotation

Name:DNA-directed DNA polymerase
ID:DPOL_BPR69
AC:Q38087
Organism:Enterobacteria phage RB69
Reign:Viruses
TaxID:12353
EC Number:/


Chains:

Chain Name:Percentage of Residues
within binding site
A100 %


Ligand binding site composition:

B-Factor:70.238
Number of residues:29
Including
Standard Amino Acids: 29
Non Standard Amino Acids: 0
Water Molecules: 0
Cofactors:
Metals:

Cavity properties

LigandabilityVolume (Å3)
0.099286.875

% Hydrophobic% Polar
44.7155.29
According to VolSite

Ligand :
1waj_1 Structure
HET Code: 5GP
Formula: C10H12N5O8P
Molecular weight: 361.205 g/mol
DrugBank ID: -
Buried Surface Area:56.57 %
Polar Surface area: 217.22 Å2
Number of
H-Bond Acceptors: 11
H-Bond Donors: 4
Rings: 3
Aromatic rings: 1
Anionic atoms: 2
Cationic atoms: 0
Rule of Five Violation: 1
Rotatable Bonds: 4

Mass center Coordinates

XYZ
5.686376.728552.033


Binding mode :
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Binding mode
BioSolveIT Image generated by PoseView
Protein
Binding Site
Ligand
Interaction pattern
hydrophobic (CA)
aromatic (CZ)
hydrogen bond acceptor (O)
hydrogen bond acceptor/donor (OG)
hydrogen bond donor (N)
positively ionized (NZ)
negatively ionized (OD1)
metal (ZN)

Legend:

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

Image generated using PoseView by BioSolveIT
BioSolveIT


LigandProteinInteraction
AtomAtomResidueDistance
(Å)
Angle (°)Type
O4'OGSER- 363.46128.89H-Bond
(Protein Donor)
O3'OGSER- 362.84157.56H-Bond
(Ligand Donor)
C1'CBSER- 364.440Hydrophobic
N7NMET- 853.31168.63H-Bond
(Protein Donor)
O2'OD1ASP- 952.79146.47H-Bond
(Ligand Donor)
O2'OD2ASP- 953.35128.46H-Bond
(Ligand Donor)
N1OLYS- 3782.87150.94H-Bond
(Ligand Donor)
N2OLYS- 3783.13138.37H-Bond
(Ligand Donor)
O6NILE- 3803.09171.19H-Bond
(Protein Donor)