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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:

3js2

2.200 Å

X-ray

2009-09-09

Interactomes:
Molecular Function:
Binding Site :

Uniprot Annotation

Name:Fibroblast growth factor receptor 1
ID:FGFR1_HUMAN
AC:P11362
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:41.989
Number of residues:19
Including
Standard Amino Acids: 19
Non Standard Amino Acids: 0
Water Molecules: 0
Cofactors:
Metals:

Cavity properties

LigandabilityVolume (Å3)
1.1311572.750

% Hydrophobic% Polar
47.0053.00
According to VolSite

Ligand :
3js2_2 Structure
HET Code: VM1
Formula: C10H6NO2S
Molecular weight: 204.225 g/mol
DrugBank ID: -
Buried Surface Area:51.96 %
Polar Surface area: 81.25 Å2
Number of
H-Bond Acceptors: 3
H-Bond Donors: 0
Rings: 2
Aromatic rings: 2
Anionic atoms: 1
Cationic atoms: 0
Rule of Five Violation: 0
Rotatable Bonds: 2

Mass center Coordinates

XYZ
18.5681-24.855554.4931


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
C1GCD1LEU- 4844.080Hydrophobic
C1ICBALA- 5124.260Hydrophobic
S1DCG2ILE- 5454.20Hydrophobic
S1DCG2VAL- 5613.720Hydrophobic
N1MNALA- 5642.95161.93H-Bond
(Protein Donor)
S1DCD1LEU- 6304.120Hydrophobic
C1ICD1LEU- 6303.470Hydrophobic