Research workbench
Crystal structure of enolase from legionella pneumophila bound to 2- phosphoglyceric acid and magnesium
Analyse Crystal structure of enolase from legionella pneumophila bound to 2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6NB2
- Type
- protein
- Length
- 847 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enolase
- EC
- 4.2.1.11
- UniProt
- Q5ZTX1
- Ligands
- 2PG, MG
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enolase (EC 4.2.1.11) | protein | 423 | 43% helix, 19% strand | Q5ZTX1 |
| B | Enolase (EC 4.2.1.11) | protein | 424 | 43% helix, 19% strand | Q5ZTX1 |
Ligands and binding sites
- 2PG · 2-phosphoglyceric acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1192 | 0.74 | 0.77 | 57 | EDO |
| 2 | 175 | 0.54 | 0.80 | 40 | empty |
| 3 | 166 | 0.51 | 0.78 | 36 | empty |
| 4 | 77 | 0.43 | 0.80 | 16 | empty |
| 5 | 83 | 0.36 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1783 Ų buried · 47 hydrogen bonds · protein-protein
Compared structures
- 6NB2 · Crystal structure of enolase from legionella pneumophila bound to 2-phosphoglyceric acid… · the same entry in another collection · chain A against A, TM-score 1.00
- Q5ZTX1 · AlphaFold monomer V2.0 prediction for enolase (Q5ZTX1) · a predicted model of the same protein · chain A 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 Q5ZTX1
- Elsewhere: RCSB PDB 6NB2 · PDBe 6NB2 · UniProt Q5ZTX1
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