Logo scPDB

sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

Logo CNRS Logo Unistra
Protein Data Bank Entry:

2xbx

1.850 Å

X-ray

2010-04-15

Activity from ChEMBL: What is pChEMBL ?
MinMeanMedianStandard DeviationMaxCount
pChEMBL:7.8207.8207.8200.0007.8201

List of CHEMBLId :

CHEMBL1221534


Interactomes:
Molecular Function:
Binding Site :

Uniprot Annotation

Name:Coagulation factor X
ID:FA10_HUMAN
AC:P00742
Organism:Homo sapiens
Reign:Eukaryota
TaxID:9606
EC Number:3.4.21.6


Chains:

Chain Name:Percentage of Residues
within binding site
A100 %


Ligand binding site composition:

B-Factor:23.416
Number of residues:38
Including
Standard Amino Acids: 38
Non Standard Amino Acids: 0
Water Molecules: 0
Cofactors:
Metals:

Cavity properties

LigandabilityVolume (Å3)
0.092263.250

% Hydrophobic% Polar
34.6265.38
According to VolSite

Ligand :
2xbx_1 Structure
HET Code: RR8
Formula: C24H22ClFN4O5S
Molecular weight: 532.972 g/mol
DrugBank ID: -
Buried Surface Area:63.07 %
Polar Surface area: 124.26 Å2
Number of
H-Bond Acceptors: 5
H-Bond Donors: 2
Rings: 4
Aromatic rings: 2
Anionic atoms: 0
Cationic atoms: 0
Rule of Five Violation: 1
Rotatable Bonds: 6

Mass center Coordinates

XYZ
9.6889263.7793.60322


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
F30CZTYR- 993.450Hydrophobic
C29CGGLU- 1473.650Hydrophobic
C31CBALA- 1903.740Hydrophobic
C8CBGLN- 1924.180Hydrophobic
C36CG1VAL- 2133.470Hydrophobic
C11CBTRP- 2154.140Hydrophobic
C16CBTRP- 2153.540Hydrophobic
N12OGLY- 2162.91128.33H-Bond
(Ligand Donor)
N14OGLY- 2182.9152.7H-Bond
(Ligand Donor)
C34SGCYS- 2204.370Hydrophobic
C8SGCYS- 2203.470Hydrophobic
CL3CZTYR- 2283.480Hydrophobic