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MolNFT v1 · #18191 · protein + DNA

Crystal structure of the oxytricha nova telomere end- binding protein complexed with noncognate ssdna ggggttttggggt

1PH1 · 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*T)-3': “Crystal structure of the oxytricha nova telomere end- binding protein complexed with noncognate ssdna…”. X-ray diffraction, 10 pockets (best druggability 0.83). MolNFT v1 #18191 on…

PDB
1PH1
Type
protein + DNA
Length
712 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*T)-3'; Telomere-binding protein alpha subunit…
UniProt
P29549, P16458
Pockets
10 · best druggability 0.83

Structure

x-ray diffraction · 3 distinct chains · 23% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
G, D, H5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*T)-3'dna13——
ATelomere-binding protein alpha subunitprotein45619% helix, 38% strandP29549
BTelomere-binding protein beta subunitprotein21732% helix, 23% strandP16458

Pockets

10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14670.830.9054empty
25180.690.7954empty
35360.610.7552empty
41510.520.7923empty
51460.430.7532empty

Interfaces

6 interfaces between chains.

  • A–B · 2696 Ų buried · 41 hydrogen bonds · protein-protein
  • D–A · 1324 Ų buried · 37 hydrogen bonds · protein-nucleic
  • G–H · 950 Ų buried · 81 hydrogen bonds · nucleic-nucleic
  • D–B · 409 Ų buried · 12 hydrogen bonds · protein-nucleic
  • G–A · 197 Ų buried · 4 hydrogen bonds · protein-nucleic

Compared structures

  • 1PH1 · Crystal structure of the oxytricha nova telomere end-binding protein complexed with… · the same entry in another collection · chain D against D, TM-score 1.00
  • P29549 · AlphaFold monomer V2.0 prediction for telomere-binding protein subunit alpha (P29549) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P16458 · AlphaFold monomer V2.0 prediction for telomere-binding protein subunit beta (P16458) · a predicted model of the same protein · chain B against A, TM-score 0.99

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