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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:

3m50

2.600 Å

X-ray

2010-03-12

Molecular Function:
Binding Site :

Uniprot Annotation

Name:14-3-3-like protein CPlasma membrane ATPase
ID:1433C_TOBACQ42932_NICPL
AC:P93343Q42932
Organism:Nicotiana tabacumNicotiana plumbaginifolia
Reign:Eukaryota
TaxID:40974092
EC Number:/


Chains:

Chain Name:Percentage of Residues
within binding site
A64 %
P36 %


Ligand binding site composition:

B-Factor:54.279
Number of residues:25
Including
Standard Amino Acids: 25
Non Standard Amino Acids: 0
Water Molecules: 0
Cofactors:
Metals:

Cavity properties

LigandabilityVolume (Å3)
0.186465.750

% Hydrophobic% Polar
52.1747.83
According to VolSite

Ligand :
3m50_1 Structure
HET Code: EBT
Formula: C16H24N2O4
Molecular weight: 308.373 g/mol
DrugBank ID: -
Buried Surface Area:48.15 %
Polar Surface area: 117.1 Å2
Number of
H-Bond Acceptors: 4
H-Bond Donors: 3
Rings: 1
Aromatic rings: 1
Anionic atoms: 1
Cationic atoms: 1
Rule of Five Violation: 0
Rotatable Bonds: 8

Mass center Coordinates

XYZ
0.174091-36.98589.16841


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
CBCDLYS- 563.970Hydrophobic
OXTNZLYS- 562.95146.12H-Bond
(Protein Donor)
OXTNZLYS- 562.950Ionic
(Protein Cationic)
OAAND2ASN- 572.83147.85H-Bond
(Protein Donor)
CBCBHIS- 9304.250Hydrophobic
CD1CBHIS- 9303.890Hydrophobic
CAUCBHIS- 9353.470Hydrophobic
CD2CG1ILE- 9564.160Hydrophobic
CGCD1ILE- 9563.810Hydrophobic