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Crystal structure of an enolase from anaerostipes caccae (efi target efi-502054) with bound mg and sulfate
Analyse Crystal structure of an enolase from anaerostipes caccae (efi target… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3UJ2
- Type
- protein
- Length
- 3,384 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enolase 1
- EC
- 4.2.1.11
- UniProt
- B0MAG5
- Ligands
- MG, SO4
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Enolase 1 (EC 4.2.1.11) | protein | 423 | 42% helix, 19% strand | B0MAG5 |
Ligands and binding sites
- MG · Magnesium ion · metal · 8 copies · chains A, B, C, D, E, F, G, H
- SO4 · Sulfate ion · ion · 20 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1178 | 0.76 | 0.79 | 129 | SO4, MG |
| 2 | 1091 | 0.76 | 0.79 | 121 | SO4 |
| 3 | 1159 | 0.76 | 0.78 | 126 | SO4, MG |
| 4 | 611 | 0.75 | 0.82 | 76 | empty |
| 5 | 910 | 0.75 | 0.79 | 60 | empty |
Interfaces
8 interfaces between chains.
- E–F · 1703 Ų buried · 34 hydrogen bonds · protein-protein
- G–H · 1689 Ų buried · 34 hydrogen bonds · protein-protein
- A–B · 1689 Ų buried · 36 hydrogen bonds · protein-protein
- C–D · 1674 Ų buried · 37 hydrogen bonds · protein-protein
- B–C · 1151 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 3UJ2 · Crystal structure of an enolase from anaerostipes caccae (efi target efi-502054) with… · 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 B0MAG5
- Elsewhere: RCSB PDB 3UJ2 · PDBe 3UJ2 · UniProt B0MAG5
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