Research workbench
Crystal structure of N-terminal 618-residue fragment of lepb from legionella pneumophila
Analyse Crystal structure of N-terminal 618-residue fragment of lepb from legionella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JW1
- Type
- protein
- Length
- 834 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Effector protein B
- UniProt
- Q6X1Y7
- Pockets
- 13 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Effector protein B | protein | 515 | 46% helix, 9% strand | Q6X1Y7 |
| B | Effector protein B | protein | 319 | 48% helix, 6% strand | Q6X1Y7 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 209 | 0.52 | 0.77 | 33 | empty |
| 2 | 147 | 0.46 | 0.76 | 23 | empty |
| 3 | 88 | 0.44 | 0.80 | 16 | empty |
| 4 | 135 | 0.44 | 0.77 | 20 | empty |
| 5 | 120 | 0.39 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 73 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 4JW1 · Crystal structure of N-terminal 618-residue fragment of LepB from Legionella pneumophila · 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 Q6X1Y7
- Elsewhere: RCSB PDB 4JW1 · PDBe 4JW1 · UniProt Q6X1Y7
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