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MolNFT v1 · #163286 · protein + DNA

Wus-hd bound to G-box DNA

6RYI · Protein wuschel: “Wus-hd bound to G-box DNA”. X-ray diffraction, 8 pockets (best druggability 0.73). MolNFT v1 #163286 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6RYI
Type
protein + DNA
Length
359 residues
Chains
9
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein wuschel; DNA (5'- D(P*GP*TP*CP*GP*TP*CP*AP*CP*GP*TP*GP*AP*TP*GP*GP*G)-3'); DNA…
UniProt
Q9SB92
Pockets
8 · best druggability 0.73

Structure

x-ray diffraction · 6 distinct chains · 67% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BProtein wuschelprotein5966% helix, 0% strandQ9SB92
C, D, EProtein wuschelprotein6068% helix, 0% strandQ9SB92
FDNA (5'- D(P*GP*TP*CP*GP*TP*CP*AP*CP*GP*TP*GP*AP*TP*GP*GP*G)-3')dna16——
GDNA (5'- D(P*CP*CP*CP*AP*TP*CP*AP*CP*GP*TP*GP*AP*CP*GP*AP*C)-3')dna16——
HDNA (5'- D(P*GP*TP*CP*GP*TP*CP*AP*CP*GP*TP*GP*AP*TP*GP*GP*G)-3')dna15——
IDNA (5'- D(P*CP*CP*CP*AP*TP*CP*AP*CP*GP*TP*GP*AP*CP*GP*AP*C)-3')dna14——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17820.730.7861empty
24800.700.8135empty
31420.480.7817empty
4670.410.8012empty
51260.380.7516empty

Interfaces

16 interfaces between chains.

  • F–G · 724 Ų buried · 76 hydrogen bonds · nucleic-nucleic
  • H–I · 670 Ų buried · 59 hydrogen bonds · nucleic-nucleic
  • D–I · 483 Ų buried · 13 hydrogen bonds · protein-nucleic
  • B–F · 477 Ų buried · 8 hydrogen bonds · protein-nucleic
  • A–G · 460 Ų buried · 11 hydrogen bonds · protein-nucleic

Compared structures

  • 6RYI · WUS-HD bound to G-Box DNA · the same entry in another collection · chain I against I, TM-score 1.00
  • Q9SB92 · AlphaFold monomer V2.0 prediction for protein wuschel (Q9SB92) · a predicted model of the same protein · chain A against A, TM-score 0.98

Analyse

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