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MolNFT v1 · #31540 · protein + DNA

Crystal structure of HPV6A E2 DNA binding domain bound to a 16 base pair DNA target

2AYB · 5'-D(*CP*AP*AP*CP*CP*GP*AP*AP*TP*TP*CP*GP*GP*TP*TP*G)-3': “Crystal structure of HPV6A E2 DNA binding domain bound to a 16 base pair DNA target”. X-ray diffraction, 1 pocket (best druggability 0.51). MolNFT v1 #31540 on GenesisL1: 3D…

PDB
2AYB
Type
protein + DNA
Length
206 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*CP*AP*AP*CP*CP*GP*AP*AP*TP*TP*CP*GP*GP*TP*TP*G)-3'; Regulatory protein E2
UniProt
Q84294
Pockets
1 · best druggability 0.51

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, D5'-D(*CP*AP*AP*CP*CP*GP*AP*AP*TP*TP*CP*GP*GP*TP*TP*G)-3'dna16——
A, BRegulatory protein E2protein8734% helix, 31% strandQ84294

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1930.510.8420empty

Interfaces

6 interfaces between chains.

  • A–B · 1347 Ų buried · 22 hydrogen bonds · protein-protein
  • C–D · 736 Ų buried · 82 hydrogen bonds · nucleic-nucleic
  • D–B · 360 Ų buried · 9 hydrogen bonds · protein-nucleic
  • C–A · 360 Ų buried · 10 hydrogen bonds · protein-nucleic
  • D–A · 314 Ų buried · 4 hydrogen bonds · protein-nucleic

Compared structures

  • 2AYB · Crystal structure of HPV6a E2 DNA Binding Domain bound to a 16 base pair DNA target · the same entry in another collection · chain C against C, TM-score 1.00

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