MolNFT v1 · #114716 · protein
High resolution structure of the ectoine synthase from the cold- adapted marine bacterium sphingopyxis alaskensis
5BY5 · L-ectoine synthase: “High resolution structure of the ectoine synthase from the cold- adapted marine bacterium sphingopyxis…”. X-ray diffraction, 1 pocket (best druggability 0.71). MolNFT v1 #114716 on GenesisL1: 3D structure…
- PDB
- 5BY5
- Type
- protein
- Length
- 115 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-ectoine synthase
- EC
- 4.2.1.108
- UniProt
- Q1GNW6
- Pockets
- 1 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | L-ectoine synthase (EC 4.2.1.108) | protein | 115 | 6% helix, 47% strand | Q1GNW6 |
Ligands and binding sites
- PGO · S-1,2-propanediol · additive · 7 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 83 | 0.71 | 0.95 | 20 | PGO |
Compared structures
- 5BY5 · High resolution structure of the ectoine synthase from the cold-adapted marine bacterium… · the same entry in another collection · chain A against A, TM-score 1.00
- Q1GNW6 · AlphaFold monomer V2.0 prediction for L-ectoine synthase (Q1GNW6) · 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 Q1GNW6
- Elsewhere: RCSB PDB 5BY5 · PDBe 5BY5 · UniProt Q1GNW6
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