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Human endogenous retrovirus (HML2) mature capsid assembly, D5 capsule

Analyse Human endogenous retrovirus (HML2) mature capsid assembly, D5 capsule in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6SSK
Type
protein
Length
1,987 residues
Chains
9
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endogenous retrovirus group K member 24 gag polyprotein
UniProt
P63145
Pockets
20 · best druggability 0.74

Structure

electron microscopy · 7 distinct chains · 55% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndogenous retrovirus group K member 24 gag polyproteinprotein22156% helix, 4% strandP63145
BEndogenous retrovirus group K member 24 gag polyproteinprotein22353% helix, 4% strandP63145
CEndogenous retrovirus group K member 24 gag polyproteinprotein21655% helix, 4% strandP63145
D, E, GEndogenous retrovirus group K member 24 gag polyproteinprotein22255% helix, 4% strandP63145
FEndogenous retrovirus group K member 24 gag polyproteinprotein22157% helix, 3% strandP63145
HEndogenous retrovirus group K member 24 gag polyproteinprotein22056% helix, 2% strandP63145
IEndogenous retrovirus group K member 24 gag polyproteinprotein22055% helix, 2% strandP63145

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19270.740.7797empty
29380.740.7774empty
37990.720.7768empty
48250.710.7676empty
57330.690.7671empty

Interfaces

12 interfaces between chains.

  • A–C · 1252 Ų buried · 7 hydrogen bonds · protein-protein
  • A–B · 1067 Ų buried · 1 hydrogen bond · protein-protein
  • D–F · 1056 Ų buried · 6 hydrogen bonds · protein-protein
  • E–G · 1030 Ų buried · 4 hydrogen bonds · protein-protein
  • F–H · 1029 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 disulfide (disulfide).

Compared structures

  • 6SSK · Human endogenous retrovirus (HML2) mature capsid assembly, D5 capsule · the same entry in another collection · chain I against I, TM-score 1.00
  • P63145 · AlphaFold monomer V2.0 prediction for endogenous retrovirus group K member 24 gag… · a predicted model of the same protein · chain B against A, TM-score 0.98

Analyse

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