Research workbench
Crystal structure of the legionella pneumophila fic domain- containing effector ankx protein (apo-form)
Analyse Crystal structure of the legionella pneumophila fic domain- containing effector… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4BEP
- Type
- protein
- Length
- 942 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphocholine transferase ankx
- EC
- 2.7.1.-
- UniProt
- Q5ZXN6
- Ligands
- MG, SO4
- Pockets
- 12 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphocholine transferase ankx (EC 2.7.1.-) | protein | 478 | 53% helix, 6% strand | Q5ZXN6 |
| B | Phosphocholine transferase ankx (EC 2.7.1.-) | protein | 464 | 56% helix, 4% strand | Q5ZXN6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 663 | 0.70 | 0.77 | 51 | empty |
| 2 | 428 | 0.65 | 0.78 | 41 | empty |
| 3 | 146 | 0.61 | 0.84 | 19 | empty |
| 4 | 228 | 0.50 | 0.75 | 29 | SO4 |
| 5 | 203 | 0.50 | 0.76 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 917 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 22 modified (engineered).
Compared structures
- 4BEP · Crystal structure of the Legionella pneumophila FIC domain-containing effector AnkX… · the same entry in another collection · chain A against A, TM-score 1.00
- Q5ZXN6 · AlphaFold monomer V2.0 prediction for phosphocholine transferase ankx (Q5ZXN6) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q5ZXN6
- Elsewhere: RCSB PDB 4BEP · PDBe 4BEP · UniProt Q5ZXN6
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