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Structure and control of the actin regulatory wave complex

Analyse Structure and control of the actin regulatory wave complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3P8C
Type
protein
Length
2,685 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytoplasmic FMR1-interacting protein 1; Nck-associated protein 1; Wiskott-aldrich…
UniProt
Q7L576, Q9Y2A7, Q92558, Q8WUW1, B4DSN1
Ligands
CL
Pockets
20 · best druggability 0.90

Structure

x-ray diffraction · 5 distinct chains · 70% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytoplasmic FMR1-interacting protein 1protein117568% helix, 3% strandQ7L576
BNck-associated protein 1protein108671% helix, 3% strandQ9Y2A7
DWiskott-aldrich syndrome protein family member 1protein20465% helix, 0% strandQ92558
EProbable protein BRICK1protein6491% helix, 0% strandQ8WUW1
FAbl interactor 2protein15669% helix, 3% strandB4DSN1

Ligands and binding sites

  • CL · Chloride ion · ion · 7 copies · chains A, B
  • GOL · Glycerol · additive · 4 copies · chains A, D, E, B, F
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19980.900.91105empty
29330.830.8581empty
37050.820.8572empty
46720.810.8567CL
55340.810.8761empty

Interfaces

8 interfaces between chains.

  • A–B · 7282 Ų buried · 48 hydrogen bonds · protein-protein
  • A–D · 4011 Ų buried · 50 hydrogen bonds · protein-protein
  • B–F · 2134 Ų buried · 36 hydrogen bonds · protein-protein
  • D–F · 2013 Ų buried · 17 hydrogen bonds · protein-protein
  • D–E · 1695 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 3P8C · Structure and Control of the Actin Regulatory WAVE Complex · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9Y2A7 · AlphaFold monomer V2.0 prediction for nck-associated protein 1 (Q9Y2A7) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • Q7L576 · AlphaFold monomer V2.0 prediction for cytoplasmic FMR1-interacting protein 1 (Q7L576) · a predicted model of the same protein · chain A against A, TM-score 0.96
  • Q8WUW1 · AlphaFold monomer V2.0 prediction for protein BRICK1 (Q8WUW1) · a predicted model of the same protein · chain E against A, TM-score 0.91
  • Q92558 · AlphaFold monomer V2.0 prediction for wiskott-aldrich syndrome protein family member 1… · a predicted model of the same protein · chain D against A, TM-score 0.82

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