Research workbench
MALT1 in complex with compound 1
Analyse MALT1 in complex with compound 1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7PAW
- Type
- protein
- Length
- 713 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
- 6IT
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (EC 3.4.22.-) | protein | 346 | 23% helix, 26% strand | Q9UDY8 |
| B | Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (EC 3.4.22.-) | protein | 367 | 25% helix, 27% strand | Q9UDY8 |
Ligands and binding sites
- 6IT · ~{N}1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-~{N}4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 377 | 0.84 | 0.93 | 52 | empty |
| 2 | 248 | 0.72 | 0.86 | 34 | 6IT |
| 3 | 206 | 0.61 | 0.82 | 37 | empty |
| 4 | 164 | 0.54 | 0.80 | 31 | empty |
| 5 | 216 | 0.53 | 0.77 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1446 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
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 7PAW · PDBe 7PAW · UniProt Q9UDY8
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