MolNFT v1 · #94607 · protein
Human MALT1 (caspase-IG3) in complex with thioridazine
4I1R · Mucosa-associated lymphoid tissue lymphoma translocation…: “Human MALT1 (caspase-IG3) in complex with thioridazine”. X-ray diffraction, 1 ligand (LZU), 2 pockets (best druggability 0.70). MolNFT v1 #94607 on GenesisL1: 3D structure…
- PDB
- 4I1R
- Type
- protein
- Length
- 353 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mucosa-associated lymphoid tissue lymphoma translocation protein 1
- EC
- 3.4.22.-
- UniProt
- Q9UDY8
- Ligands
- LZU
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (EC 3.4.22.-) | protein | 353 | 25% helix, 29% strand | Q9UDY8 |
Ligands and binding sites
- LZU · 10-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 208 | 0.70 | 0.86 | 26 | LZU |
| 2 | 196 | 0.48 | 0.76 | 29 | empty |
Compared structures
- 4I1R · Human MALT1 (caspase-IG3) in complex with thioridazine · 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 0.94
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 4I1R · PDBe 4I1R · UniProt Q9UDY8
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