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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:

2l98

Å

NMR

2011-02-02

Interactomes:
Molecular Function:
Binding Site :

Uniprot Annotation

Name:Troponin C, slow skeletal and cardiac muscles
ID:TNNC1_HUMAN
AC:P63316
Organism:Homo sapiens
Reign:Eukaryota
TaxID:9606
EC Number:/


Chains:

Chain Name:Percentage of Residues
within binding site
A100 %


Ligand binding site composition:

B-Factor:1.205
Number of residues:18
Including
Standard Amino Acids: 18
Non Standard Amino Acids: 0
Water Molecules: 0
Cofactors:
Metals:

Cavity properties

LigandabilityVolume (Å3)
1.648448.875

% Hydrophobic% Polar
77.4422.56
According to VolSite

Ligand :
2l98_1 Structure
HET Code: STL
Formula: C14H12O3
Molecular weight: 228.243 g/mol
DrugBank ID: DB02709
Buried Surface Area:35.32 %
Polar Surface area: 60.69 Å2
Number of
H-Bond Acceptors: 3
H-Bond Donors: 3
Rings: 2
Aromatic rings: 2
Anionic atoms: 0
Cationic atoms: 0
Rule of Five Violation: 0
Rotatable Bonds: 2

Mass center Coordinates

XYZ
9.6373512.8558-3.70165


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
C14CD2LEU- 1004.360Hydrophobic
C12CD2LEU- 1173.440Hydrophobic
C5CD1LEU- 1213.820Hydrophobic
C10CD1LEU- 1363.590Hydrophobic
C13CE1PHE- 1533.280Hydrophobic
DuArDuArPHE- 1563.840Aromatic Face/Face