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MolNFT v1 · #126787 · protein

The structure of the mature HIV-1 ca hexameric lattice with curvature parameters: TILT=17, twist=-6

5MDB · Gag protein: “The structure of the mature HIV-1 ca hexameric lattice with curvature parameters: TILT=17, twist=-6”. Electron microscopy, 12 pockets (best druggability 0.37). MolNFT v1 #126787 on GenesisL1: 3D structure, binding…

PDB
5MDB
Type
protein
Length
1,474 residues
Chains
14
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Gag protein
UniProt
A0A0K0V8J8, E9MJT0
Pockets
12 · best druggability 0.37

Structure

electron microscopy · 2 distinct chains · 60% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, F, W, C, D, E, GGag proteinprotein7464% helix, 0% strandA0A0K0V8J8
a, b, f, H, I, JGag proteinprotein14758% helix, 4% strandE9MJT0

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11650.370.7237empty
21220.330.7232empty
31100.330.7325empty
41120.330.7229empty
51150.320.7232empty

Interfaces

16 interfaces between chains.

  • B–b · 70 Ų buried · 2 hydrogen bonds · protein-protein
  • D–I · 69 Ų buried · 2 hydrogen bonds · protein-protein
  • E–J · 64 Ų buried · 1 hydrogen bond · protein-protein
  • F–f · 63 Ų buried · 1 hydrogen bond · protein-protein
  • D–H · 61 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5MDB · The structure of the mature HIV-1 CA hexameric lattice with curvature parameters… · the same entry in another collection · chain C against C, TM-score 1.00

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