GL1X · GenesisL1 explorer

MolNFT v2 · #216847 · protein + DNA

transcription factor BARHL2 bound to TAATC DNA sequence

8PM7: “transcription factor BARHL2 bound to TAATC DNA sequence”. X-ray diffraction at 1.7, 6 pockets (best druggability 0.77). MolNFT v2 #216847 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
8PM7
Type
protein + DNA
Length
336 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.7
Source
Homo sapiens; SYNTHETIC CONSTRUCT
Molecule
DNA; BarH-like 2 homeobox protein
UniProt
Q9NY43
Pockets
6 · best druggability 0.77

Structure

x-ray diffraction · resolution 1.7 · 5 distinct chains · 67% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, D, F, HDNAdna12——
I, J, K, LDNAdna12——
ABarH-like 2 homeobox proteinprotein6169% helix, 0% strandQ9NY43
CBarH-like 2 homeobox proteinprotein5966% helix, 0% strandQ9NY43
E, GBarH-like 2 homeobox proteinprotein6065% helix, 0% strandQ9NY43

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110020.770.8096empty
29870.730.7781empty
31170.430.7720empty
41130.420.7714empty
5870.370.7716empty

Interfaces

21 interfaces between chains.

  • B–A · 562 Ų buried · 15 hydrogen bonds · protein-nucleic
  • L–G · 554 Ų buried · 13 hydrogen bonds · protein-nucleic
  • D–C · 550 Ų buried · 14 hydrogen bonds · protein-nucleic
  • K–E · 547 Ų buried · 12 hydrogen bonds · protein-nucleic
  • H–L · 545 Ų buried · 48 hydrogen bonds · nucleic-nucleic

Compared structures

  • Q9NY43 · AlphaFold monomer V2.0 prediction for barh-like 2 homeobox protein (Q9NY43) · a predicted model of the same protein · chain G against A, TM-score 0.91

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