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MolNFT v1 · #141685 · protein + DNA

Crystal structure of human DUX4 homeodomains bound to A12T DNA mutant

5ZFZ · Double homeobox protein 4-like protein 4: “Crystal structure of human DUX4 homeodomains bound to A12T DNA mutant”. X-ray diffraction, 3 pockets (best druggability 0.73). MolNFT v1 #141685 on GenesisL1: 3D structure, binding sites…

PDB
5ZFZ
Type
protein + DNA
Length
160 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Double homeobox protein 4-like protein 4; DNA (5'…
UniProt
P0CJ87
Pockets
3 · best druggability 0.73

Structure

x-ray diffraction · 3 distinct chains · 69% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADouble homeobox protein 4-like protein 4protein12269% helix, 0% strandP0CJ87
DDNA (5'- D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*TP*TP*CP*AP*CP*AP*CP*C)-3')dna19——
EDNA (5'- D(*GP*GP*TP*GP*TP*GP*AP*AP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3')dna19——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11190.730.9426empty
2580.440.8312empty
31200.410.7618empty

Interfaces

3 interfaces between chains.

  • A–E · 1138 Ų buried · 22 hydrogen bonds · protein-nucleic
  • A–D · 961 Ų buried · 19 hydrogen bonds · protein-nucleic
  • D–E · 845 Ų buried · 77 hydrogen bonds · nucleic-nucleic

Compared structures

  • 5ZFZ · Crystal structure of human DUX4 homeodomains bound to A12T DNA mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • P0CJ87 · AlphaFold monomer V2.0 prediction for double homeobox protein 4-like protein 4 (P0CJ87) · a predicted model of the same protein · chain A against A, TM-score 0.99

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