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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:

3uwb

1.700 Å

X-ray

2011-12-01

Interactomes:
Molecular Function:
Binding Site :

Uniprot Annotation

Name:RIIA-RIIB membrane-associated protein
ID:E3SLL2_9CAUD
AC:E3SLL2
Organism:Synechococcus phage S-SSM7
Reign:Viruses
TaxID:445686
EC Number:/


Chains:

Chain Name:Percentage of Residues
within binding site
A100 %


Ligand binding site composition:

B-Factor:15.663
Number of residues:26
Including
Standard Amino Acids: 24
Non Standard Amino Acids: 1
Water Molecules: 1
Cofactors:
Metals: ZN

Cavity properties

LigandabilityVolume (Å3)
0.506256.500

% Hydrophobic% Polar
48.6851.32
According to VolSite

Created with Highcharts 4.0.1Chart context menuDistribution of cavity propertiesscPDB Median3uwbHydrophobicAromaticHBond AcceptorHBond DonorHBondAcceptor/DonorPositive IonizableNegativeIonizableDummy80204060Highcharts.com
Ligand :
3uwb_1 Structure
HET Code: BB2
Formula: C19H35N3O5
Molecular weight: 385.498 g/mol
DrugBank ID: DB04310
Buried Surface Area:60.79 %
Polar Surface area: 118.97 Å2
Number of
H-Bond Acceptors: 5
H-Bond Donors: 4
Rings: 1
Aromatic rings: 0
Anionic atoms: 0
Cationic atoms: 0
Rule of Five Violation: 0
Rotatable Bonds: 11

Mass center Coordinates

XYZ
9.8514831.122314.7725
Created with Highcharts 4.0.1Chart context menuDistribution of ligand propertiesscPDB Median3uwbRingsAromatic RingsHBond AcceptorHBond DonorRotatable BondsPositive IonizableNegativeIonizableRO5 Violation8051015Highcharts.com


Binding mode :
What is Poseview ?
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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
O13NILE- 432.82153.11H-Bond
(Protein Donor)
C8CG1ILE- 433.90Hydrophobic
C24CD1ILE- 434.090Hydrophobic
N1OGLY- 443.23131.68H-Bond
(Ligand Donor)
O4NE2GLN- 493.24148.31H-Bond
(Protein Donor)
C11CE2PHE- 883.950Hydrophobic
C25CE2PHE- 883.880Hydrophobic
C26CE2PHE- 884.170Hydrophobic
O27OASP- 892.55165.23H-Bond
(Ligand Donor)
C10CGGLU- 903.880Hydrophobic
N14OGLY- 913.08172.48H-Bond
(Ligand Donor)
O20NGLY- 913.01156.12H-Bond
(Protein Donor)
C5CGLEU- 933.930Hydrophobic
C17CD2LEU- 934.060Hydrophobic
O4NLEU- 932.86155.65H-Bond
(Protein Donor)
C11CGARG- 1303.790Hydrophobic
C8CG2VAL- 1314.390Hydrophobic
C9CBHIS- 1343.90Hydrophobic
N1OE2GLU- 1352.68123.88H-Bond
(Ligand Donor)
O4ZN ZN- 2002.210Metal Acceptor
O2ZN ZN- 2002.140Metal Acceptor