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MolNFT v1 · #167573 · protein + DNA

Cryo-EM structure of HTLV-1 instasome

6VOY · DNA-binding protein 7D: “Cryo-EM structure of HTLV-1 instasome”. Electron microscopy, 2 ligands (ZN, MG), 20 pockets (best druggability 0.86). MolNFT v1 #167573 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6VOY
Type
protein + DNA
Length
1,904 residues
Chains
12
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-binding protein 7D; SERINE/THREONINE-protein phosphatase 2A 56 kda regulatory subunit…
UniProt
P39476, A0A1Y1CAW1, Q13362
Ligands
ZN, MG
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 6 distinct chains · 43% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CDNA-binding protein 7Dprotein27633% helix, 12% strandP39476, A0A1Y1CAW1
B, DDNA-binding protein 7Dprotein25932% helix, 8% strandP39476, A0A1Y1CAW1
E, FSERINE/THREONINE-protein phosphatase 2A 56 kda regulatory subunit gamma isoformprotein32759% helix, 0% strandQ13362
I, LDNA (5'- D(P*AP*CP*AP*CP*AP*CP*TP*TP*GP*AP*CP*TP*AP*GP*GP*GP*TP*G)-3')dna47——
J, MDNA (25-mer)dna25——
K, NDNA (5'- D(P*AP*CP*AP*CP*AP*CP*TP*TP*GP*AP*CP*TP*AP*GP*GP*GP*TP*G)-3')dna18——

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
  • MG · Magnesium ion · metal · 2 copies · chains A, K, C, I, N

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
17450.860.8984empty
26980.860.8985empty
36850.830.8780empty
47770.830.8686empty
55840.830.8753empty

Interfaces

32 interfaces between chains.

  • C–D · 1585 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 1507 Ų buried · 9 hydrogen bonds · protein-protein
  • D–E · 1244 Ų buried · 21 hydrogen bonds · protein-protein
  • B–F · 1239 Ų buried · 16 hydrogen bonds · protein-protein
  • A–C · 1232 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 6VOY · Cryo-EM structure of HTLV-1 instasome · the same entry in another collection · chain N against N, TM-score 1.00

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