MolNFT v1 · #81842 · protein
Mouse MALT1(CASPASE-IG3 domains) in complex with a irreversible peptidic inhibitor
3V4L · Mucosa-associated lymphoid tissue lymphoma translocation…: “Mouse MALT1(CASPASE-IG3 domains) in complex with a irreversible peptidic inhibitor”. X-ray diffraction, 2 ligands (PHQ, CF0), 3 pockets (best druggability 0.49). MolNFT v1…
- PDB
- 3V4L
- Type
- protein
- Length
- 390 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mucosa-associated lymphoid tissue lymphoma translocation protein 1 homolog; MALT1…
- EC
- 3.4.22.-
- UniProt
- Q2TBA3
- Ligands
- PHQ, CF0
- Pockets
- 3 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mucosa-associated lymphoid tissue lymphoma translocation protein 1 homolog (EC 3.4.22.-) | protein | 386 | 22% helix, 30% strand | Q2TBA3 |
| 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
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 200 | 0.49 | 0.76 | 31 | empty |
| 2 | 109 | 0.41 | 0.76 | 20 | CF0 |
| 3 | 50 | 0.26 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 452 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 3V4L · Mouse MALT1(caspase-IG3 domains) in complex with a irreversible peptidic inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- Q2TBA3 · 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 Q2TBA3
- Elsewhere: RCSB PDB 3V4L · PDBe 3V4L · UniProt Q2TBA3
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