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MolNFT v1 · #9114 · protein + DNA

The crystal structure of an intact human max-DNA complex: new insights into mechanisms of transcriptional control

1HLO · DNA (5'-D(*CP*AP*CP*CP*AP*CP*GP*TP*GP*GP*T)-3'): “The crystal structure of an intact human max-DNA complex: new insights into mechanisms of transcriptional…”. X-ray diffraction, 2 pockets (best druggability 0.81). MolNFT v1 #9114 on…

PDB
1HLO
Type
protein + DNA
Length
175 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*CP*AP*CP*CP*AP*CP*GP*TP*GP*GP*T)-3'); DNA…
UniProt
P61244
Pockets
2 · best druggability 0.81

Structure

x-ray diffraction · 4 distinct chains · 82% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CDNA (5'-D(*CP*AP*CP*CP*AP*CP*GP*TP*GP*GP*T)-3')dna11——
DDNA (5'-D(*AP*CP*CP*AP*CP*GP*TP*GP*GP*TP*G)-3')dna11——
AProtein (transcription factor max)protein8085% helix, 0% strandP61244
BProtein (transcription factor max)protein7379% helix, 0% strandP61244

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11880.810.9624empty
2610.370.7917empty

Interfaces

6 interfaces between chains.

  • A–B · 1359 Ų buried · 21 hydrogen bonds · protein-protein
  • C–D · 520 Ų buried · 51 hydrogen bonds · nucleic-nucleic
  • D–B · 518 Ų buried · 13 hydrogen bonds · protein-nucleic
  • C–A · 494 Ų buried · 15 hydrogen bonds · protein-nucleic
  • C–B · 285 Ų buried · 4 hydrogen bonds · protein-nucleic

Compared structures

  • 1HLO · The crystal structure of an intact human max-DNA complex: new insights into mechanisms of… · the same entry in another collection · chain C against C, TM-score 1.00
  • P61244 · AlphaFold monomer V2.0 prediction for protein max (P61244) · a predicted model of the same protein · chain A against A, TM-score 0.91

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