› 7paw

X-ray diffraction
2.19Å resolution

MALT1 in complex with compound 1

Released:
DOI: 10.2210/pdb7paw/pdb
PDB entry 7paw coloured by chain, front view.
PDB entry 7paw coloured by chain, side view.
PDB entry 7paw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and optimization of cyclohexane-1,4-diamines as allosteric MALT1 inhibitors.
Schiesser S, Hajek P, Pople HE, Käck H, Öster L, Cox RJ
Eur J Med Chem 227 113925 (2022)
PMID: 34742013

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-577380 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 388 amino acids
Theoretical weight: 44.17 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9UDY8 (Residues: 339-719; Coverage: 46%)
Gene names: MALT1, MLT
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand 6IT 1 x 6IT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID30B
Spacegroup: P21
Unit cell:
a: 52.45Å b: 74.97Å c: 106.87Å
α: 90° β: 93.87° γ: 90°
R-values:
R R work R free
0.202 0.2 0.235
Expression system: Escherichia coli

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