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
- 7AK1
- Type
- protein
- Length
- 351 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
- RJH, MG
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 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 | 351 | 26% helix, 32% strand | Q9UDY8 |
Ligands and binding sites
- RJH · 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 255 | 0.71 | 0.85 | 29 | RJH |
| 2 | 177 | 0.48 | 0.76 | 28 | empty |
| 3 | 102 | 0.37 | 0.75 | 15 | empty |
Compared structures
- 7AK1 · 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 7AK1 · PDBe 7AK1 · UniProt Q9UDY8
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