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MolNFT v1 · #1587 · protein + DNA

The solution structure of TN916 integrase N-terminal DOMAIN/DNA complex

1B69 · DNA (5'-D(*GP*AP*GP*TP*AP*GP*TP*AP*AP*AP*TP*TP*C)-3'): “The solution structure of TN916 integrase N-terminal DOMAIN/DNA complex”. Solution nmr, 1 pocket (best druggability 0.32). MolNFT v1 #1587 on GenesisL1: 3D structure, binding…

PDB
1B69
Type
protein + DNA
Length
95 residues
Chains
3
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*GP*AP*GP*TP*AP*GP*TP*AP*AP*AP*TP*TP*C)-3'); DNA…
UniProt
P22886
Pockets
1 · best druggability 0.32

Structure

solution nmr · 3 distinct chains · 13% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BDNA (5'-D(*GP*AP*GP*TP*AP*GP*TP*AP*AP*AP*TP*TP*C)-3')dna13——
CDNA (5'-D(*GP*AP*AP*TP*TP*TP*AP*CP*TP*AP*CP*TP*C)-3')dna13——
AProtein (integrase)protein6913% helix, 22% strandP22886

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1630.320.7714empty

Interfaces

3 interfaces between chains.

  • B–A · 622 Ų buried · 14 hydrogen bonds · protein-nucleic
  • B–C · 599 Ų buried · 54 hydrogen bonds · nucleic-nucleic
  • C–A · 476 Ų buried · 8 hydrogen bonds · protein-nucleic

Compared structures

  • 1B69 · The solution structure of TN916 integrase N-terminal DOMAIN/DNA complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P22886 · AlphaFold monomer V2.0 prediction for transposase from transposon TN916 (P22886) · a predicted model of the same protein · chain A against A, TM-score 0.90

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