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MolNFT v1 · #127394 · protein

Structure of the thin filament at high calcium concentration

5MVA · Actin, alpha skeletal muscle: “Structure of the thin filament at high calcium concentration”. Electron microscopy, 1 ligand (ADP), 20 pockets (best druggability 0.85). MolNFT v1 #127394 on GenesisL1: 3D structure, binding sites and…

PDB
5MVA
Type
protein
Length
8,625 residues
Chains
23
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin, alpha skeletal muscle
UniProt
P68135
Ligands
ADP
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 1 distinct chain · 40% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, WActin, alpha skeletal muscleprotein37540% helix, 17% strandP68135

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 23 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W

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
110170.850.86137ADP
29900.850.86138ADP
39900.850.86140ADP
410850.850.86145ADP
511130.850.86142ADP

Interfaces

43 interfaces between chains.

  • A–C · 914 Ų buried · 5 hydrogen bonds · protein-protein
  • S–U · 912 Ų buried · 5 hydrogen bonds · protein-protein
  • H–J · 912 Ų buried · 5 hydrogen bonds · protein-protein
  • E–G · 910 Ų buried · 5 hydrogen bonds · protein-protein
  • T–V · 910 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 23 modified (methylation).

Compared structures

  • 5MVA · Structure of the thin filament at high calcium concentration · the same entry in another collection · chain K against K, TM-score 1.00

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