MolNFT v1 · #76729 · protein
Crystal structure analysis of entamoeba histolytica enolase
3QTP · Enolase 1: “Crystal structure analysis of entamoeba histolytica enolase”. X-ray diffraction, 3 ligands (2PG, MG, SO4), 6 pockets (best druggability 0.74). MolNFT v1 #76729 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3QTP
- Type
- protein
- Length
- 877 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enolase 1
- EC
- 4.2.1.11
- UniProt
- P51555
- Ligands
- 2PG, MG, SO4
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enolase 1 (EC 4.2.1.11) | protein | 438 | 43% helix, 18% strand | P51555 |
| B | Enolase 1 (EC 4.2.1.11) | protein | 439 | 43% helix, 18% strand | P51555 |
Ligands and binding sites
- 2PG · 2-phosphoglyceric acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 984 | 0.74 | 0.77 | 51 | SO4 |
| 2 | 250 | 0.67 | 0.84 | 44 | 2PG, MG |
| 3 | 398 | 0.63 | 0.78 | 59 | 2PG, MG |
| 4 | 68 | 0.33 | 0.76 | 16 | empty |
| 5 | 64 | 0.31 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1924 Ų buried · 32 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
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 P51555
- Elsewhere: RCSB PDB 3QTP · PDBe 3QTP · UniProt P51555
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