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Protelomerase TELA/DNA hairpin PRODUCT/VANADATE complex

Analyse Protelomerase TELA/DNA hairpin PRODUCT/VANADATE complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4E0G
Type
protein + DNA
Length
351 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protelomerase; DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*A)-3'); DNA (5'…
UniProt
Q7CWV1
Ligands
VO4
Pockets
3 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 59% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtelomeraseprotein31959% helix, 8% strandQ7CWV1
CDNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*A)-3')dna13——
DDNA (5'- D(*TP*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3')dna19——

Ligands and binding sites

  • VO4 · Vanadate ion · ion · chains A, C, D

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14850.740.8338empty
23040.680.8347empty
3560.380.8011empty

Interfaces

3 interfaces between chains.

  • A–D · 1757 Ų buried · 29 hydrogen bonds · protein-nucleic
  • A–C · 982 Ų buried · 19 hydrogen bonds · protein-nucleic
  • C–D · 690 Ų buried · 51 hydrogen bonds · nucleic-nucleic

Compared structures

  • 4E0G · Protelomerase tela/DNA hairpin product/vanadate complex · the same entry in another collection · chain C against C, TM-score 1.00

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