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MolNFT v1 · #32400 · protein + DNA

Atomic structure of single-stranded DNA bacteriophage PHIX174 and its functional implications

2BPA · Protein (subunit of bacteriophage PHIX174): “Atomic structure of single-stranded DNA bacteriophage PHIX174 and its functional implications”. X-ray diffraction, 8 pockets (best druggability 0.58). MolNFT v1 #32400 on GenesisL1: 3D…

PDB
2BPA
Type
protein + DNA
Length
641 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (subunit of bacteriophage PHIX174); DNA (5'-D(*AP*AP*AP*AP*C)-3')
UniProt
P03641, P03643, P69592
Pockets
8 · best druggability 0.58

Structure

x-ray diffraction · 4 distinct chains · 17% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
1Protein (subunit of bacteriophage PHIX174)protein42626% helix, 29% strandP03641
2Protein (subunit of bacteriophage PHIX174)protein1750% helix, 52% strandP03643
3Protein (subunit of bacteriophage PHIX174)protein360% helix, 3% strandP69592
ADNA (5'-D(*AP*AP*AP*AP*C)-3')dna4——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13490.580.7634empty
23510.560.7543empty
33010.530.7534empty
41070.510.8217empty
5640.410.8127empty

Interfaces

4 interfaces between chains.

  • 1–3 · 1183 Ų buried · 11 hydrogen bonds · protein-protein
  • 1–2 · 203 Ų buried · 1 hydrogen bond · protein-protein
  • 1–A · 199 Ų buried · 2 hydrogen bonds · protein-nucleic
  • 3–A · 175 Ų buried · 7 hydrogen bonds · protein-nucleic

Compared structures

  • 2BPA · Atomic structure of single-stranded DNA bacteriophage PHIX174 and its functional… · the same entry in another collection · chain 1 against 1, TM-score 1.00

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