MolNFT v1 · #14000 · protein
Crystal structure of the GALM/ALDOSE epimerase homologue from C. elegans, northeast structural genomics target WR66
1LUR · Aldose 1-epimerase: “Crystal structure of the GALM/ALDOSE epimerase homologue from C. elegans, northeast structural genomics…”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.60). MolNFT v1 #14000 on GenesisL1: 3D…
- PDB
- 1LUR
- Type
- protein
- Length
- 650 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldose 1-epimerase
- EC
- 5.1.3.3
- UniProt
- Q966D4
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aldose 1-epimerase (EC 5.1.3.3) | protein | 325 | 7% helix, 45% strand | Q966D4 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 385 | 0.60 | 0.76 | 44 | empty |
| 2 | 175 | 0.55 | 0.80 | 28 | empty |
| 3 | 136 | 0.49 | 0.79 | 23 | empty |
| 4 | 74 | 0.38 | 0.78 | 16 | empty |
| 5 | 68 | 0.33 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 212 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 1LUR · Crystal Structure of the GalM/aldose Epimerase Homologue from C. elegans, Northeast… · 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 Q966D4
- Elsewhere: RCSB PDB 1LUR · PDBe 1LUR · UniProt Q966D4
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