MolNFT v1 · #188833 · protein
Crystal structure of enolase family protein from naegleria fowleri with bound 2-phosphoglyceric acid
7UGH · Phosphopyruvate hydratase: “Crystal structure of enolase family protein from naegleria fowleri with bound 2-phosphoglyceric acid”. X-ray diffraction, 2 ligands (2PG, NA), 8 pockets (best druggability 0.80). MolNFT v1 #188833 on…
- PDB
- 7UGH
- Type
- protein
- Length
- 870 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphopyruvate hydratase
- EC
- 4.2.1.11
- UniProt
- A0A6A5BXC3
- Ligands
- 2PG, NA
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphopyruvate hydratase (EC 4.2.1.11) | protein | 436 | 43% helix, 19% strand | A0A6A5BXC3 |
| B | Phosphopyruvate hydratase (EC 4.2.1.11) | protein | 434 | 44% helix, 19% strand | A0A6A5BXC3 |
Ligands and binding sites
- 2PG · 2-phosphoglyceric acid · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
- ACT · Acetate ion · additive · 4 copies · chains A, 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1160 | 0.80 | 0.82 | 85 | EDO |
| 2 | 413 | 0.71 | 0.83 | 60 | 2PG |
| 3 | 441 | 0.68 | 0.80 | 59 | 2PG |
| 4 | 110 | 0.44 | 0.78 | 20 | empty |
| 5 | 76 | 0.41 | 0.79 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2065 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 7UGH · Crystal Structure of enolase family protein from Naegleria fowleri with bound… · 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 A0A6A5BXC3
- Elsewhere: RCSB PDB 7UGH · PDBe 7UGH · UniProt A0A6A5BXC3
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