MolNFT v1 · #31142 · protein
Crystal structure analysis of enolase mg subunit complex at pH 8.0
2AL1 · Enolase 1: “Crystal structure analysis of enolase mg subunit complex at pH 8.0”. X-ray diffraction, 5 ligands (PEP, 2PG, MG), 8 pockets (best druggability 0.73). MolNFT v1 #31142 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2AL1
- Type
- protein
- Length
- 867 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enolase 1
- EC
- 4.2.1.11
- UniProt
- P00924
- Ligands
- PEP, 2PG, MG, K, CL
- Pockets
- 8 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enolase 1 (EC 4.2.1.11) | protein | 436 | 44% helix, 18% strand | P00924 |
| B | Enolase 1 (EC 4.2.1.11) | protein | 431 | 45% helix, 18% strand | P00924 |
Ligands and binding sites
- PEP · Phosphoenolpyruvate · ligand · 2 copies · chains A, B
- 2PG · 2-phosphoglyceric acid · ligand · chains A
- MG · Magnesium ion · metal · 4 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains B
- CL · Chloride ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 938 | 0.73 | 0.77 | 53 | empty |
| 2 | 373 | 0.61 | 0.77 | 47 | PEP |
| 3 | 196 | 0.50 | 0.77 | 30 | empty |
| 4 | 86 | 0.45 | 0.80 | 18 | empty |
| 5 | 91 | 0.43 | 0.79 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1929 Ų buried · 43 hydrogen bonds · protein-protein
Compared structures
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 P00924
- Elsewhere: RCSB PDB 2AL1 · PDBe 2AL1 · UniProt P00924
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