Research workbench
Human MALT1(329-729) in complex with a chromane urea containing inhibitor
Analyse Human MALT1(329-729) in complex with a chromane urea containing inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AK0
- Type
- protein
- Length
- 718 residues
- Chains
- 2
- 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
- RJK
- Pockets
- 8 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (EC 3.4.22.-) | protein | 355 | 26% helix, 32% strand | Q9UDY8 |
| B | Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (EC 3.4.22.-) | protein | 363 | 26% helix, 32% strand | Q9UDY8 |
Ligands and binding sites
- RJK · 1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{R})-6-bromanyl-3,4-dihydro-2~{H}-chromen-3-yl]urea · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 876 | 0.74 | 0.78 | 81 | empty |
| 2 | 176 | 0.73 | 0.90 | 28 | RJK |
| 3 | 218 | 0.72 | 0.87 | 31 | RJK |
| 4 | 554 | 0.65 | 0.76 | 59 | empty |
| 5 | 208 | 0.48 | 0.75 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 687 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 7AK0 · Human MALT1(329-729) in complex with a chromane urea containing 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 0.97
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 7AK0 · PDBe 7AK0 · UniProt Q9UDY8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.