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The crystal structure of human fascin 1 K358A mutant

Analyse The crystal structure of human fascin 1 K358A mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4GP3
Type
protein
Length
961 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fascin
UniProt
Q16658
Ligands
CL, BR
Pockets
11 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFascinprotein4806% helix, 49% strandQ16658
BFascinprotein4816% helix, 47% strandQ16658

Ligands and binding sites

  • CL · Chloride ion · ion · 18 copies · chains A, B
  • BR · Bromide ion · ion · 7 copies · chains A, B
  • GOL · Glycerol · additive · 7 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15920.710.7944CL
24610.650.7866empty
32260.500.7530GOL
41390.490.7936empty
5900.470.8117empty

Interfaces

1 interface between chains.

  • A–B · 702 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 4GP3 · The crystal structure of human fascin 1 K358A mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • Q16658 · AlphaFold monomer V2.0 prediction for fascin (Q16658) · a predicted model of the same protein · chain A against A, TM-score 0.97

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