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MolNFT v1 · #156953 · protein

Cryo-EM of self-assembly peptide filament HEAT_R1

6MK1 · Peptide HEAT_R1: “Cryo-EM of self-assembly peptide filament HEAT_R1”. Electron microscopy, 20 pockets (best druggability 0.50). MolNFT v1 #156953 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6MK1
Type
protein
Length
1,560 residues
Chains
52
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peptide HEAT_R1
Pockets
20 · best druggability 0.50

Structure

electron microscopy · 1 distinct chain · 80% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, a, B, b, C, c, D, d, E, e, F, f, G, g, H, h, I, i, J, j, K, k, L, l, M, m, N, n, O, o, P, p, Q, q, R, r, S, s, T, t, U, u, V, v, W, w, X, x, Y, y, Z, zPeptide HEAT_R1protein3080% helix, 0% strand—

Pockets

20 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12310.500.7521empty
22390.490.7424empty
32070.480.7522empty
41950.480.7519empty
52000.480.7520empty

Interfaces

116 interfaces between chains.

  • S–s · 609 Ų buried · 3 hydrogen bonds · protein-protein
  • D–d · 609 Ų buried · 3 hydrogen bonds · protein-protein
  • C–c · 609 Ų buried · 3 hydrogen bonds · protein-protein
  • G–g · 609 Ų buried · 3 hydrogen bonds · protein-protein
  • E–e · 609 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 6MK1 · Cryo-EM of self-assembly peptide filament HEAT_R1 · the same entry in another collection · chain e against e, TM-score 1.00

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