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MolNFT v1 · #53862 · protein

Implications of the HIV-1 rev dimer structure at 3.2A resolution for multimeric binding to the rev response element

2X7L · Fab heavy chain: “Implications of the HIV-1 rev dimer structure at 3.2A resolution for multimeric binding to the rev response…”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #53862 on GenesisL1: 3D structure…

PDB
2X7L
Type
protein
Length
2,964 residues
Chains
18
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fab heavy chain; Fab light chain; Protein rev
UniProt
P04616
Pockets
20 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 12% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, G, H, JFab heavy chainprotein2204% helix, 41% strand—
B, D, F, I, K, LFab light chainprotein2174% helix, 49% strand—
M, N, O, P, Q, RProtein revprotein5768% helix, 0% strandP04616

Pockets

20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110990.810.83128empty
210720.810.83128empty
32960.630.8034empty
45340.620.7554empty
52700.620.8035empty

Interfaces

28 interfaces between chains.

  • G–I · 2064 Ų buried · 14 hydrogen bonds · protein-protein
  • C–D · 2049 Ų buried · 15 hydrogen bonds · protein-protein
  • J–K · 2048 Ų buried · 13 hydrogen bonds · protein-protein
  • E–F · 2048 Ų buried · 15 hydrogen bonds · protein-protein
  • H–L · 2046 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 30 disulfide (disulfide).

Compared structures

  • 2X7L · Implications of the HIV-1 Rev dimer structure at 3.2A resolution for multimeric binding… · the same entry in another collection · chain F against F, TM-score 1.00

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