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MolNFT v1 · #105729 · protein + DNA

Crystal structure of a distal-less homeobox protein 5 (DLX5) from homo sapiens at 1.85 a resolution

4RDU · Homeobox protein dlx-5: “Crystal structure of a distal-less homeobox protein 5 (DLX5) from homo sapiens at 1.85 a resolution”. X-ray diffraction, 4 pockets (best druggability 0.72). MolNFT v1 #105729 on GenesisL1: 3D structure…

PDB
4RDU
Type
protein + DNA
Length
178 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Homeobox protein dlx-5; (DC)(DG)(DA)(DC)(DT)(DA)(DA)(DT)(DT)(DA)(DG)(DT)(DC)(DG)
UniProt
P56178
Pockets
4 · best druggability 0.72

Structure

x-ray diffraction · 4 distinct chains · 71% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHomeobox protein dlx-5protein6170% helix, 0% strandP56178
B, C, E(DC)(DG)(DA)(DC)(DT)(DA)(DA)(DT)(DT)(DA)(DG)(DT)(DC)(DG)dna14——
DHomeobox protein dlx-5protein6271% helix, 0% strandP56178
F(DC)(DG)(DA)(DC)(DT)(DA)(DA)(DT)(DT)(DA)(DG)(DT)(DC)(DG)dna13——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15350.720.8166empty
21860.540.7925empty
3540.430.8315empty
41100.410.7726empty

Interfaces

11 interfaces between chains.

  • A–B · 580 Ų buried · 10 hydrogen bonds · protein-nucleic
  • B–C · 569 Ų buried · 48 hydrogen bonds · nucleic-nucleic
  • E–F · 561 Ų buried · 46 hydrogen bonds · nucleic-nucleic
  • A–C · 553 Ų buried · 16 hydrogen bonds · protein-nucleic
  • D–F · 524 Ų buried · 14 hydrogen bonds · protein-nucleic

Compared structures

  • 4RDU · Crystal structure of a distal-less homeobox protein 5 (Dlx5) from Homo sapiens at 1.85 A… · the same entry in another collection · chain F against F, TM-score 1.00
  • P56178 · AlphaFold monomer V2.0 prediction for homeobox protein dlx-5 (P56178) · a predicted model of the same protein · chain A against A, TM-score 0.89

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