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MolNFT v1 · #166724 · protein

Crystal structure of K37-acetylated SUMO1 in complex with phosphorylated daxx

6UYX · Small ubiquitin-related modifier 1: “Crystal structure of K37-acetylated SUMO1 in complex with phosphorylated daxx”. X-ray diffraction, 1 ligand (SEP), 1 pocket (best druggability 0.42). MolNFT v1 #166724 on GenesisL1: 3D structure…

PDB
6UYX
Type
protein
Length
174 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Small ubiquitin-related modifier 1; Phosphorylated daxx
UniProt
P63165
Ligands
SEP
Pockets
1 · best druggability 0.42

Structure

x-ray diffraction · 4 distinct chains · 21% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CSmall ubiquitin-related modifier 1protein7923% helix, 34% strandP63165
DPhosphorylated daxxprotein80% helix, 38% strand—
ASmall ubiquitin-related modifier 1protein7723% helix, 35% strandP63165
BPhosphorylated daxxprotein100% helix, 30% strand—

Ligands and binding sites

  • SEP · Phosphoserine · ligand · chains C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1800.420.8019empty

Interfaces

4 interfaces between chains.

  • A–B · 610 Ų buried · 10 hydrogen bonds · protein-protein
  • C–D · 461 Ų buried · 7 hydrogen bonds · protein-protein
  • C–A · 340 Ų buried · 4 hydrogen bonds · protein-protein
  • D–A · 331 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 modified, 1 covalent (acetylation, covalent ligand, phosphorylation).

Compared structures

  • 6UYX · Crystal structure of K37-acetylated SUMO1 in complex with phosphorylated DAXX · the same entry in another collection · chain C against C, TM-score 1.00
  • P63165 · AlphaFold monomer V2.0 prediction for small ubiquitin-related modifier 1 (P63165) · a predicted model of the same protein · chain A against A, TM-score 0.96

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