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Isolated S3D-cofilin bound to an actin filament

Analyse Isolated S3D-cofilin bound to an actin filament in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6UC0
Type
protein
Length
2,754 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin, alpha skeletal muscle; Cofilin-1
UniProt
P68135, P23528
Ligands
ADP, MG
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 2 distinct chains · 36% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, GActin, alpha skeletal muscleprotein37040% helix, 18% strandP68135
ICofilin-1protein16427% helix, 29% strandP23528

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 7 copies · chains A, B, C, D, E, F, G
  • MG · Magnesium ion · metal · 7 copies · chains A, B, C, D, E, F, G

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

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110180.830.84110empty
210040.830.84114empty
310650.810.82111MG, ADP
45550.770.8462empty
52650.760.8950MG, ADP

Interfaces

13 interfaces between chains.

  • C–D · 1258 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 1254 Ų buried · 8 hydrogen bonds · protein-protein
  • E–G · 1253 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 1251 Ų buried · 8 hydrogen bonds · protein-protein
  • E–F · 1241 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 isopeptide (isopeptide).

Compared structures

  • 6UC0 · Isolated S3D-cofilin bound to an actin filament · the same entry in another collection · chain I against I, TM-score 1.00
  • P68135 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68135) · a predicted model of the same protein · chain C against A, TM-score 0.96

Analyse

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