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The crystal structure of human fascin 1 K41A mutant

Analyse The crystal structure of human fascin 1 K41A mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4GOY
Type
protein
Length
959 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fascin
UniProt
Q16658
Ligands
CL, BR
Pockets
10 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFascinprotein4756% helix, 49% strandQ16658
BFascinprotein4846% helix, 48% strandQ16658

Ligands and binding sites

  • CL · Chloride ion · ion · 10 copies · chains A, B
  • BR · Bromide ion · ion · 8 copies · chains A, B
  • GOL · Glycerol · additive · 6 copies · chains A, B
  • DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · chains B

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

Pockets

10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16690.700.7864empty
22130.530.7737empty
32040.530.7835GOL
4900.480.8120empty
52090.470.7429empty

Interfaces

1 interface between chains.

  • A–B · 583 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 4GOY · The crystal structure of human fascin 1 K41A 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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