Research workbench
Crystal structure of staphylococcus aureus enolase in complex with pep
Analyse Crystal structure of staphylococcus aureus enolase in complex with pep in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5BOE
- Type
- protein
- Length
- 866 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enolase
- EC
- 4.2.1.11
- UniProt
- O69174
- Ligands
- PEP, MG
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Enolase (EC 4.2.1.11) | protein | 433 | 43% helix, 19% strand | O69174 |
Ligands and binding sites
- PEP · Phosphoenolpyruvate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 957 | 0.77 | 0.79 | 48 | GOL |
| 2 | 134 | 0.66 | 0.89 | 28 | PEP, MG |
| 3 | 530 | 0.66 | 0.77 | 61 | empty |
| 4 | 203 | 0.52 | 0.78 | 35 | PEP |
| 5 | 71 | 0.35 | 0.77 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1832 Ų buried · 36 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 O69174
- Elsewhere: RCSB PDB 5BOE · PDBe 5BOE · UniProt O69174
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