MolNFT v1 · #159338 · protein
Crystal structure of the legionella effector protein mavl
6OMI: “Crystal structure of the legionella effector protein mavl”. X-ray diffraction, 1 ligand (BR), 12 pockets (best druggability 0.84). MolNFT v1 #159338 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6OMI
- Type
- protein
- Length
- 1,084 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mavl
- UniProt
- Q5ZSJ1
- Ligands
- BR
- Pockets
- 12 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 33% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mavl | protein | 361 | 34% helix, 22% strand | Q5ZSJ1 |
| B | Mavl | protein | 362 | 33% helix, 22% strand | Q5ZSJ1 |
| C | Mavl | protein | 361 | 33% helix, 22% strand | Q5ZSJ1 |
Ligands and binding sites
- BR · Bromide ion · ion · 2 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 822 | 0.84 | 0.87 | 93 | empty |
| 2 | 154 | 0.82 | 0.98 | 24 | empty |
| 3 | 457 | 0.63 | 0.77 | 65 | empty |
| 4 | 69 | 0.62 | 0.91 | 20 | empty |
| 5 | 52 | 0.47 | 0.85 | 15 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1200 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 553 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 6OMI · Crystal structure of the Legionella effector protein MavL · the same entry in another collection · chain A against A, TM-score 1.00
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 Q5ZSJ1
- Elsewhere: RCSB PDB 6OMI · PDBe 6OMI · UniProt Q5ZSJ1
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