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Cryoem structure of simian T-cell lymphotropic virus intasome in complex with PP2A regulatory subunit B56 gamma

Analyse Cryoem structure of simian T-cell lymphotropic virus intasome in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7PEL
Type
protein + DNA
Length
1,744 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pol protein; Isoform 3 of PC4 and SFRS1-interacting PROTEIN,ISOFORM gamma-2 of…
UniProt
Q4QY51, Q13362
Ligands
ZN
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 5 distinct chains · 42% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DPol proteinprotein25833% helix, 22% strandQ4QY51
B, EPol proteinprotein27833% helix, 20% strandQ4QY51
C, FIsoform 3 of PC4 and SFRS1-interacting PROTEIN,ISOFORM gamma-2 of SERINE/THREONINE-protein phosphatase 2A 56 kda regulatory subunit gamma isoformprotein29658% helix, 0% strandQ13362
K, MDNA (5'- D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)- 3')dna21——
L, NDNA (5'- D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3')dna19——

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains A, B, D, E

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111930.840.85105empty
28690.830.8581empty
39210.790.8285empty
46190.780.8469empty
53570.720.8439empty

Interfaces

27 interfaces between chains.

  • A–B · 1729 Ų buried · 8 hydrogen bonds · protein-protein
  • D–E · 1726 Ų buried · 8 hydrogen bonds · protein-protein
  • A–C · 1512 Ų buried · 12 hydrogen bonds · protein-protein
  • D–F · 1504 Ų buried · 12 hydrogen bonds · protein-protein
  • B–E · 1275 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 7PEL · CryoEM structure of simian T-cell lymphotropic virus intasome in complex with PP2A… · the same entry in another collection · chain N against N, TM-score 1.00
  • Q13362 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 2A 56 kda… · a predicted model of the same protein · chain C against A, TM-score 0.97

Analyse

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