Logo scPDB

sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

Logo CNRS Logo Unistra
Protein Data Bank Entry:

1zyj

2.000 Å

X-ray

2005-06-10

Interactomes:
Molecular Function:
Binding Site :

Uniprot Annotation

Name:Mitogen-activated protein kinase 14
ID:MK14_HUMAN
AC:Q16539
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:33.950
Number of residues:26
Including
Standard Amino Acids: 26
Non Standard Amino Acids: 0
Water Molecules: 0
Cofactors:
Metals:

Cavity properties

LigandabilityVolume (Å3)
1.223536.625

% Hydrophobic% Polar
62.8937.11
According to VolSite

Ligand :
1zyj_1 Structure
HET Code: BI5
Formula: C19H16N2O2
Molecular weight: 304.343 g/mol
DrugBank ID: DB07459
Buried Surface Area:52.98 %
Polar Surface area: 51.22 Å2
Number of
H-Bond Acceptors: 3
H-Bond Donors: 1
Rings: 3
Aromatic rings: 3
Anionic atoms: 0
Cationic atoms: 0
Rule of Five Violation: 0
Rotatable Bonds: 5

Mass center Coordinates

XYZ
53.311935.954-25.0699


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
C12CG1VAL- 384.120Hydrophobic
C19CBALA- 514.070Hydrophobic
C10CBALA- 513.480Hydrophobic
C19CBLYS- 533.530Hydrophobic
C16CD1LEU- 753.920Hydrophobic
C17CBLEU- 1043.820Hydrophobic
C10CG2THR- 1063.540Hydrophobic
C18CG2THR- 1063.470Hydrophobic
C4CD1LEU- 1084.120Hydrophobic
C8CD1LEU- 1084.390Hydrophobic
O2NMET- 1092.94167.14H-Bond
(Protein Donor)
N1NGLY- 1102.76144.14H-Bond
(Protein Donor)
C8CD2LEU- 1673.750Hydrophobic