› 8a10

X-ray diffraction
1.88Å resolution

Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-020-049-143

Released:
DOI: 10.2210/pdb8a10/pdb
Model geometry
Fit model/data
PDB entry 8a10 coloured by chain, front view.
PDB entry 8a10 coloured by chain, side view.
PDB entry 8a10 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural insights into human brachyury DNA recognition and discovery of progressible binders for cancer therapy.
Newman JA, Gavard AE, Imprachim N, Aitkenhead H, Sheppard HE, Te Poele R, Clarke PA, Hossain MA, Temme L, Oh HJ, Wells CI, Davis-Gilbert ZW, Workman P, Gileadi O, Drewry DH
Nat Commun 16 1596 (2025)
PMID: 39952925

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-127349 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
T-box transcription factor T Chain: A
Molecule details ›
Chain: A
Length: 172 amino acids
Theoretical weight: 19.66 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O15178 (Residues: 41-211; Coverage: 39%)
Gene names: T, TBXT
Sequence domains: T-box

Ligands and Environments

1 bound ligand:
Ligand A1IYK 1 x A1IYK
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: R32
Unit cell:
a: 100.395Å b: 100.395Å c: 99.437Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.207 0.204 0.272
Expression system: Escherichia coli

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