MolNFT v1 · #78788 · protein
Crystal structure of enolase SPEA_3858 (target efi-500646) from shewanella pealeana with magnesium bound
3SJN · Mandelate RACEMASE/MUCONATE lactonizing protein: “Crystal structure of enolase SPEA_3858 (target efi-500646) from shewanella pealeana with magnesium bound”. X-ray diffraction, 2 ligands (UNL, MG), 4 pockets (best druggability 0.75).…
- PDB
- 3SJN
- Type
- protein
- Length
- 746 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mandelate RACEMASE/MUCONATE lactonizing protein
- UniProt
- A8H9D1
- Ligands
- UNL, MG
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Mandelate RACEMASE/MUCONATE lactonizing protein | protein | 373 | 40% helix, 20% strand | A8H9D1 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 295 | 0.75 | 0.87 | 44 | empty |
| 2 | 344 | 0.74 | 0.85 | 43 | empty |
| 3 | 257 | 0.69 | 0.84 | 32 | empty |
| 4 | 57 | 0.30 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2229 Ų buried · 43 hydrogen bonds · protein-protein
Compared structures
- 3SJN · Crystal structure of enolase Spea_3858 (target EFI-500646) from Shewanella pealeana 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 A8H9D1
- Elsewhere: RCSB PDB 3SJN · PDBe 3SJN · UniProt A8H9D1
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