› 7vkh

X-ray diffraction
2.25Å resolution

Crystal structure of AF9 YEATS domain in complex with hit 2

Released:
DOI: 10.2210/pdb7vkh/pdb
PDB entry 7vkh coloured by chain, front view.
PDB entry 7vkh coloured by chain, side view.
PDB entry 7vkh coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Liu Y, Jin R, Lu H, Bian K, Wang R, Wang L, Gao R, Zhang J, Wu J, Yao X, Liu X, Liu D, Wang X, Zhang Z, Ruan K
OpenAccess logo Int J Mol Sci 23 (2022)
PMID: 35409252

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-154671 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein AF-9 Chains: A, B
Molecule details ›
Chains: A, B
Length: 138 amino acids
Theoretical weight: 16.33 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P42568 (Residues: 1-138; Coverage: 24%)
Gene names: AF9, MLLT3, YEATS3
Sequence domains: YEATS family

Ligands and Environments

2 bound ligands:
Ligand 7IY 2 x 7IY
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL18U1
Spacegroup: P1
Unit cell:
a: 31.652Å b: 41.426Å c: 59.725Å
α: 102° β: 90.87° γ: 90.36°
R-values:
R R work R free
0.208 0.206 0.244
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

Molecular Recognition of Methacryllysine and Crotonyllysine by the AF9 YEATS Domain.
Bilgin et al. (2023)

1 mention without citation

Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Liu et al. (2022)