Research workbench
Human MALT1 (caspase domain) in complex with an irreversible peptidic inhibitor
Analyse Human MALT1 (caspase domain) in complex with an irreversible peptidic inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3V4O
- Type
- protein
- Length
- 238 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mucosa-associated lymphoid tissue lymphoma translocation protein 1; MALT1 inhibitor
- EC
- 3.4.22.-
- UniProt
- Q9UDY8
- Ligands
- PHQ, CF0
- Pockets
- 2 · best druggability 0.39
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (EC 3.4.22.-) | protein | 234 | 26% helix, 21% strand | Q9UDY8 |
| B | MALT1 inhibitor | protein | 4 | 0% helix, 50% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 111 | 0.39 | 0.75 | 19 | empty |
| 2 | 64 | 0.34 | 0.77 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 553 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 3V4O · Human MALT1 (caspase domain) in complex with an irreversible peptidic inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UDY8 · AlphaFold monomer V2.0 prediction for mucosa-associated lymphoid tissue lymphoma… · a predicted model of the same protein · chain A against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9UDY8
- Elsewhere: RCSB PDB 3V4O · PDBe 3V4O · UniProt Q9UDY8
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