MolNFT v1 · #170923 · protein
Human MALT1(334-719) in complex with a tetrazole containing compound
6YN8 · Mucosa-associated lymphoid tissue lymphoma translocation…: “Human MALT1(334-719) in complex with a tetrazole containing compound”. X-ray diffraction, 1 ligand (OZK), 4 pockets (best druggability 0.69). MolNFT v1 #170923 on…
- PDB
- 6YN8
- Type
- protein
- Length
- 365 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
- OZK
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (EC 3.4.22.-) | protein | 365 | 24% helix, 31% strand | Q9UDY8 |
Ligands and binding sites
- OZK · 3-azanyl-3-methyl-~{N}-[(3~{R})-4-oxidanylidene-5-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 250 | 0.69 | 0.85 | 35 | OZK |
| 2 | 194 | 0.48 | 0.76 | 29 | empty |
| 3 | 86 | 0.41 | 0.78 | 19 | empty |
| 4 | 56 | 0.28 | 0.74 | 15 | empty |
Compared structures
- 6YN8 · Human MALT1(334-719) in complex with a tetrazole containing compound · 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 0.95
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 6YN8 · PDBe 6YN8 · UniProt Q9UDY8
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