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MolNFT v1 · #169261 · protein + DNA

Cryo-EM structure of piggybac transposase synaptic complex with hairpin DNA (snhp)

6X68: “Cryo-EM structure of piggybac transposase synaptic complex with hairpin DNA (snhp)”. Electron microscopy, 2 ligands (CA, ZN), 20 pockets (best druggability 0.82). MolNFT v1 #169261 on GenesisL1: 3D structure, binding sites and…

PDB
6X68
Type
protein + DNA
Length
1,080 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transposase; Hairpin DNA
UniProt
Q283G1
Ligands
CA, ZN
Pockets
20 · best druggability 0.82

Structure

electron microscopy · 3 distinct chains · 38% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, DTransposaseprotein47838% helix, 15% strandQ283G1
AHairpin DNAdna74——
BHairpin DNAdna50——

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains C, B, A, D
  • ZN · Zinc ion · metal · 4 copies · chains C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13230.820.9362empty
22790.790.9153empty
31940.740.9122empty
46980.740.8057CA
57510.730.7963CA

Interfaces

5 interfaces between chains.

  • C–A · 2404 Ų buried · 32 hydrogen bonds · protein-nucleic
  • D–B · 1743 Ų buried · 18 hydrogen bonds · protein-nucleic
  • D–A · 1703 Ų buried · 22 hydrogen bonds · protein-nucleic
  • C–D · 1136 Ų buried · 8 hydrogen bonds · protein-protein
  • C–B · 926 Ų buried · 10 hydrogen bonds · protein-nucleic

Compared structures

  • 6X68 · Cryo-EM structure of piggyBac transposase synaptic complex with hairpin DNA (SNHP) · the same entry in another collection · chain C against C, TM-score 1.00

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