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Barbed end side of a cofilactin cluster

Analyse Barbed end side of a cofilactin cluster in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6UC4
Type
protein
Length
4,066 residues
Chains
16
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 0.85

Structure

electron microscopy · 5 distinct chains · 39% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CActin, alpha skeletal muscleprotein37040% helix, 18% strandP68135
D, J, K, LActin, alpha skeletal muscleprotein35641% helix, 19% strandP68135
E, FActin, alpha skeletal muscleprotein19043% helix, 15% strandP68135
G, HActin, alpha skeletal muscleprotein16640% helix, 23% strandP68135
I, M, N, O, PCofilin-1protein16427% helix, 29% strandP23528

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 9 copies · chains A, B, C, D, E, H, F, G, J, K, L
  • MG · Magnesium ion · metal · 9 copies · chains A, B, C, D, E, H, F, G, J, K, L

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17920.850.88119MG, ADP
29440.840.86100MG, ADP
35900.830.8888MG, ADP
411580.820.83102MG, ADP
59210.770.8091MG, ADP

Interfaces

36 interfaces between chains.

  • A–B · 1215 Ų buried · 8 hydrogen bonds · protein-protein
  • J–N · 1151 Ų buried · 14 hydrogen bonds · protein-protein
  • D–M · 1133 Ų buried · 11 hydrogen bonds · protein-protein
  • K–O · 1093 Ų buried · 4 hydrogen bonds · protein-protein
  • A–E · 1021 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 6UC4 · Barbed end side of a cofilactin cluster · the same entry in another collection · chain M against M, TM-score 1.00

Analyse

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