MolNFT v1 · #140245 · protein
Crystal structure of glucose isomerase in complex with xylitol inhibitor in one metal binding mode
5Y4J · Xylose isomerase: “Crystal structure of glucose isomerase in complex with xylitol inhibitor in one metal binding mode”. X-ray diffraction, 2 ligands (XYL, MG), 3 pockets (best druggability 0.73). MolNFT v1 #140245 on GenesisL1: 3D…
- PDB
- 5Y4J
- Type
- protein
- Length
- 384 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Xylose isomerase
- EC
- 5.3.1.5
- UniProt
- P24300
- Ligands
- XYL, MG
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Xylose isomerase (EC 5.3.1.5) | protein | 384 | 51% helix, 10% strand | P24300 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.73 | 0.99 | 22 | empty |
| 2 | 475 | 0.66 | 0.78 | 52 | XYL |
| 3 | 63 | 0.49 | 0.85 | 14 | empty |
Compared structures
- 5Y4J · Crystal structure of glucose isomerase in complex with xylitol inhibitor in one metal… · 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 P24300
- Elsewhere: RCSB PDB 5Y4J · PDBe 5Y4J · UniProt P24300
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