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MolNFT v1 · #127199 · protein + DNA

Structural basis of gene regulation by the grainyhead transcription factor superfamily

5MPF · Grainyhead-like protein 1 homolog: “Structural basis of gene regulation by the grainyhead transcription factor superfamily”. X-ray diffraction, 7 pockets (best druggability 0.65). MolNFT v1 #127199 on GenesisL1: 3D structure…

PDB
5MPF
Type
protein + DNA
Length
422 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Grainyhead-like protein 1 homolog; DNA (5'-D(*AP*AP*AP*AP*CP*CP*GP*GP*TP*TP*TP*T)-3')
UniProt
Q9NZI5
Pockets
7 · best druggability 0.65

Structure

x-ray diffraction · 3 distinct chains · 15% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGrainyhead-like protein 1 homologprotein19614% helix, 39% strandQ9NZI5
BGrainyhead-like protein 1 homologprotein20216% helix, 38% strandQ9NZI5
E, FDNA (5'-D(*AP*AP*AP*AP*CP*CP*GP*GP*TP*TP*TP*T)-3')dna12——

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1500.650.9621empty
24770.650.7744empty
32500.550.7732empty
4810.400.7815empty
5870.320.7423empty

Interfaces

6 interfaces between chains.

  • E–F · 508 Ų buried · 45 hydrogen bonds · nucleic-nucleic
  • B–F · 404 Ų buried · 7 hydrogen bonds · protein-nucleic
  • A–E · 395 Ų buried · 6 hydrogen bonds · protein-nucleic
  • B–E · 331 Ų buried · 7 hydrogen bonds · protein-nucleic
  • A–F · 323 Ų buried · 4 hydrogen bonds · protein-nucleic

Compared structures

  • 5MPF · Structural Basis of Gene Regulation by the Grainyhead Transcription Factor Superfamily · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NZI5 · AlphaFold monomer V2.0 prediction for grainyhead-like protein 1 homolog (Q9NZI5) · a predicted model of the same protein · chain B against A, TM-score 0.96

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