MolNFT v1 · #87460 · protein
L-fucose isomerase in complex with fuculose
4C22: “L-fucose isomerase in complex with fuculose”. X-ray diffraction, 3 ligands (CVU, FUC, MN), 15 pockets (best druggability 0.76). MolNFT v1 #87460 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4C22
- Type
- protein
- Length
- 1,191 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-fucose isomerase
- EC
- 5.3.1.25
- UniProt
- Q97N97
- Ligands
- CVU, FUC, MN
- Pockets
- 15 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | L-fucose isomerase (EC 5.3.1.25) | protein | 587 | 40% helix, 20% strand | Q97N97 |
| B | L-fucose isomerase (EC 5.3.1.25) | protein | 604 | 39% helix, 20% strand | Q97N97 |
Ligands and binding sites
- CVU · L-Fuculose open form · ligand · 2 copies · chains A, B
- FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 14 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 977 | 0.76 | 0.79 | 118 | EDO |
| 2 | 51 | 0.66 | 0.95 | 18 | empty |
| 3 | 231 | 0.52 | 0.76 | 30 | empty |
| 4 | 204 | 0.50 | 0.76 | 29 | empty |
| 5 | 158 | 0.47 | 0.76 | 20 | EDO |
Interfaces
1 interface between chains.
- A–B · 1288 Ų buried · 23 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 Q97N97
- Elsewhere: RCSB PDB 4C22 · PDBe 4C22 · UniProt Q97N97
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