MolNFT v1 · #58899 · protein
Crystal structure of adenylosuccinate lyase from legionella pneumophila
3BHG: “Crystal structure of adenylosuccinate lyase from legionella pneumophila”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.42). MolNFT v1 #58899 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3BHG
- Type
- protein
- Length
- 448 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylosuccinate lyase
- EC
- 4.3.2.2
- UniProt
- Q5ZXD1
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.42
Structure
x-ray diffraction · 1 distinct chain · 64% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylosuccinate lyase (EC 4.3.2.2) | protein | 448 | 64% helix, 5% strand | Q5ZXD1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 83 | 0.42 | 0.79 | 20 | empty |
| 2 | 73 | 0.39 | 0.79 | 18 | SO4 |
| 3 | 68 | 0.33 | 0.76 | 11 | empty |
Modifications
Observed in the structure: 11 modified (engineered).
Compared structures
- 3BHG · Crystal structure of adenylosuccinate lyase from Legionella pneumophila · the same entry in another collection · chain A against A, TM-score 1.00
- Q5ZXD1 · AlphaFold monomer V2.0 prediction for adenylosuccinate lyase (Q5ZXD1) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q5ZXD1
- Elsewhere: RCSB PDB 3BHG · PDBe 3BHG · UniProt Q5ZXD1
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