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MolNFT v1 · #140021 · protein

Crystal structure of POZ1, TPZ1 and RAP1

5XXF · Protection of telomeres protein POZ1: “Crystal structure of POZ1, TPZ1 and RAP1”. X-ray diffraction, 1 ligand (ZN), 7 pockets (best druggability 0.59). MolNFT v1 #140021 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5XXF
Type
protein
Length
547 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protection of telomeres protein POZ1; Protection of telomeres protein TPZ1; RAP1
UniProt
O13852, O14246
Ligands
ZN
Pockets
7 · best druggability 0.59

Structure

x-ray diffraction · 4 distinct chains · 68% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtection of telomeres protein POZ1protein22272% helix, 0% strandO13852
C, DProtection of telomeres protein TPZ1protein3165% helix, 0% strandO14246
E, FRAP1protein170% helix, 0% strand—
BProtection of telomeres protein POZ1protein22971% helix, 0% strandO13852

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, C, B, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1910.590.8720empty
21230.580.8425empty
3850.440.7917empty
4970.390.7622empty
5750.340.7614empty

Interfaces

5 interfaces between chains.

  • B–D · 1267 Ų buried · 14 hydrogen bonds · protein-protein
  • A–C · 1262 Ų buried · 14 hydrogen bonds · protein-protein
  • B–F · 832 Ų buried · 8 hydrogen bonds · protein-protein
  • A–E · 785 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 765 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 5XXF · Crystal structure of Poz1, Tpz1 and Rap1 · the same entry in another collection · chain F against F, TM-score 1.00
  • O13852 · AlphaFold monomer V2.0 prediction for protection of telomeres protein POZ1 (O13852) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • O14246 · AlphaFold monomer V2.0 prediction for protection of telomeres protein TPZ1 (O14246) · a predicted model of the same protein · chain C against A, TM-score 0.60

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