Logo scPDB

sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

Logo CNRS Logo Unistra
Protein Data Bank Entry:

2ieh

2.700 Å

X-ray

2006-09-19

Interactomes:
Molecular Function:
Binding Site :

Uniprot Annotation

Name:Kinesin-like protein KIF11
ID:KIF11_HUMAN
AC:P52732
Organism:Homo sapiens
Reign:Eukaryota
TaxID:9606
EC Number:/


Chains:

Chain Name:Percentage of Residues
within binding site
B100 %


Ligand binding site composition:

B-Factor:20.277
Number of residues:31
Including
Standard Amino Acids: 31
Non Standard Amino Acids: 0
Water Molecules: 0
Cofactors:
Metals:

Cavity properties

LigandabilityVolume (Å3)
0.846357.750

% Hydrophobic% Polar
59.4340.57
According to VolSite

Ligand :
2ieh_2 Structure
HET Code: MOY
Formula: C19H18N2O2S
Molecular weight: 338.423 g/mol
DrugBank ID: DB08198
Buried Surface Area:66.19 %
Polar Surface area: 84.66 Å2
Number of
H-Bond Acceptors: 3
H-Bond Donors: 2
Rings: 3
Aromatic rings: 2
Anionic atoms: 0
Cationic atoms: 0
Rule of Five Violation: 0
Rotatable Bonds: 3

Mass center Coordinates

XYZ
40.560115.28349.8823


Binding mode :
What is Poseview ?
  • 2D View
  • 3D View
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
C4CBGLU- 1164.370Hydrophobic
C18CGGLU- 1163.70Hydrophobic
N1OGLY- 1172.63131.83H-Bond
(Ligand Donor)
O4OGLU- 1182.56141.4H-Bond
(Ligand Donor)
O4NEARG- 1193.4134.77H-Bond
(Protein Donor)
C5CGARG- 1193.960Hydrophobic
C26CDARG- 1193.290Hydrophobic
C28CBTRP- 1273.760Hydrophobic
C26CBASP- 1304.460Hydrophobic
C26CBALA- 1333.560Hydrophobic
C27CGPRO- 1374.40Hydrophobic
C28CBPRO- 1373.960Hydrophobic
C29CGPRO- 1374.140Hydrophobic
C21CD2LEU- 1603.870Hydrophobic
C5CZTYR- 2113.760Hydrophobic
C28CE1TYR- 2113.370Hydrophobic
C6CBLEU- 2143.790Hydrophobic
C18CBLEU- 2144.290Hydrophobic
C29CD1LEU- 2144.320Hydrophobic
C19CD2LEU- 2143.910Hydrophobic
C6CBALA- 2183.980Hydrophobic
C22CBALA- 2184.120Hydrophobic