MolNFT v1 · #48454 · protein
Crystal structure of the T. brucei enolase complexed with pep
2PTY: “Crystal structure of the T. brucei enolase complexed with pep”. X-ray diffraction, 2 ligands (PEP, ZN), 2 pockets (best druggability 0.31). MolNFT v1 #48454 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2PTY
- Type
- protein
- Length
- 431 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enolase
- EC
- 4.2.1.11
- UniProt
- Q38BV6
- Ligands
- PEP, ZN
- Pockets
- 2 · best druggability 0.31
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enolase (EC 4.2.1.11) | protein | 431 | 42% helix, 17% strand | Q38BV6 |
Ligands and binding sites
- PEP · Phosphoenolpyruvate · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.31 | 0.75 | 18 | empty |
| 2 | 60 | 0.29 | 0.74 | 18 | empty |
Compared structures
- 2PTY · Crystal Structure of the T. brucei enolase complexed with PEP · the same entry in another collection · chain A against A, TM-score 1.00
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 Q38BV6
- Elsewhere: RCSB PDB 2PTY · PDBe 2PTY · UniProt Q38BV6
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