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MolNFT v1 · #156077 · protein

Crystal structure of yeats domain of human YEATS2 in complex with H3K27BZ peptide

6LSD · Yeats domain-containing protein 2: “Crystal structure of yeats domain of human YEATS2 in complex with H3K27BZ peptide”. X-ray diffraction, 2 ligands (ACE, SO4), 1 pocket (best druggability 0.68). MolNFT v1 #156077 on GenesisL1: 3D…

PDB
6LSD
Type
protein
Length
281 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Yeats domain-containing protein 2; 2
UniProt
Q9ULM3
Ligands
ACE, SO4
Pockets
1 · best druggability 0.68

Structure

x-ray diffraction · 3 distinct chains · 7% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AYeats domain-containing protein 2protein1307% helix, 53% strandQ9ULM3
BYeats domain-containing protein 2protein1357% helix, 50% strandQ9ULM3
C, D2protein80% helix, 13% strand—

Ligands and binding sites

  • ACE · Acetyl group · ligand · 2 copies · chains C, D
  • SO4 · Sulfate ion · ion · 9 copies · chains A, B, C, D
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15620.680.7758SO4

Interfaces

3 interfaces between chains.

  • A–B · 513 Ų buried · 7 hydrogen bonds · protein-protein
  • A–C · 493 Ų buried · 7 hydrogen bonds · protein-protein
  • B–D · 485 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent, 2 modified (covalent ligand, nonstandard).

Compared structures

  • 6LSD · Crystal Structure of YEATS domain of human YEATS2 in complex with H3K27bz peptide · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9ULM3 · AlphaFold monomer V2.0 prediction for yeats domain-containing protein 2 (Q9ULM3) · a predicted model of the same protein · chain A against A, TM-score 0.97

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