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MolNFT v1 · #19943 · protein + DNA

Crystal structure of POT1 (protection of telomere)- ssdna complex

1QZG · Telomeric single-stranded DNA: “Crystal structure of POT1 (protection of telomere)- ssdna complex”. X-ray diffraction, 1 ligand (TMP), 3 pockets (best druggability 0.62). MolNFT v1 #19943 on GenesisL1: 3D structure, binding sites…

PDB
1QZG
Type
protein + DNA
Length
350 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Telomeric single-stranded DNA; Protection of telomeres protein 1
UniProt
O13988
Ligands
TMP
Pockets
3 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 18% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, DTelomeric single-stranded DNAdna5——
A, BProtection of telomeres protein 1protein17018% helix, 39% strandO13988

Ligands and binding sites

  • TMP · Thymidine-5'-phosphate · ligand · 2 copies · chains C, A, D, B

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
12560.620.8037empty
23400.530.7436empty
3570.290.7512empty

Interfaces

3 interfaces between chains.

  • C–A · 584 Ų buried · 18 hydrogen bonds · protein-nucleic
  • D–B · 577 Ų buried · 15 hydrogen bonds · protein-nucleic
  • A–B · 417 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 1QZG · Crystal structure of Pot1 (protection of telomere)- ssDNA complex · the same entry in another collection · chain C against C, TM-score 1.00
  • O13988 · AlphaFold monomer V2.0 prediction for protection of telomeres protein 1 (O13988) · a predicted model of the same protein · chain A against A, TM-score 0.94

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