GL1X · GenesisL1 explorer

MolNFT v1 · #184610 · protein

Immature HIV-1 matrix structure

7OVQ · Gag polyprotein: “Immature HIV-1 matrix structure”. Electron microscopy, 1 ligand (MYR), 20 pockets (best druggability 0.64). MolNFT v1 #184610 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7OVQ
Type
protein
Length
2,760 residues
Chains
24
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Gag polyprotein
UniProt
B6DRA0
Ligands
MYR
Pockets
20 · best druggability 0.64

Structure

electron microscopy · 1 distinct chain · 67% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, P, b, E, Q, c, F, R, d, S, f, I, h, K, X, M, Y, Z, l, O, mGag polyproteinprotein11567% helix, 3% strandB6DRA0

Ligands and binding sites

  • MYR · Myristic acid · ligand · 24 copies · chains A, B, C, D, P, b, E, Q, c, F, R, d, S, f, I, h, K, X, M, Y, Z, l, O, m

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

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18050.640.73116empty
27920.630.73122empty
34310.550.7469empty
44520.550.7360empty
54190.540.7463empty

Interfaces

24 interfaces between chains.

  • E–O · 77 Ų buried · 0 hydrogen bonds · protein-protein
  • b–l · 76 Ų buried · 0 hydrogen bonds · protein-protein
  • P–S · 75 Ų buried · 0 hydrogen bonds · protein-protein
  • F–I · 72 Ų buried · 0 hydrogen bonds · protein-protein
  • c–f · 72 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 lipid (myristoylation).

Compared structures

  • 7OVQ · Immature HIV-1 matrix structure · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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