MolNFT v1 · #120563 · protein
Crystal structure of aol complexed with 2-mese-fuc
5H47 · Uncharacterized protein: “Crystal structure of aol complexed with 2-mese-fuc”. X-ray diffraction, 1 ligand (FSW), 20 pockets (best druggability 0.86). MolNFT v1 #120563 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5H47
- Type
- protein
- Length
- 3,720 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q2UNX8
- Ligands
- FSW
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | Uncharacterized protein | protein | 310 | 4% helix, 51% strand | Q2UNX8 |
Ligands and binding sites
- FSW · methyl 6-deoxy-2-Se-methyl-2-seleno-alpha-L-galactopyranoside · ligand · 72 copies · chains A, I, E, B, D, C, J, F, H, G, K, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 942 | 0.86 | 0.88 | 106 | empty |
| 2 | 390 | 0.84 | 0.93 | 40 | empty |
| 3 | 382 | 0.83 | 0.92 | 41 | empty |
| 4 | 344 | 0.83 | 0.93 | 41 | empty |
| 5 | 465 | 0.82 | 0.89 | 63 | empty |
Interfaces
14 interfaces between chains.
- B–F · 1177 Ų buried · 12 hydrogen bonds · protein-protein
- C–L · 1171 Ų buried · 14 hydrogen bonds · protein-protein
- G–J · 1171 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 1162 Ų buried · 16 hydrogen bonds · protein-protein
- I–K · 1161 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 5H47 · Crystal structure of AOL complexed with 2-MeSe-Fuc · the same entry in another collection · chain L against L, 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 Q2UNX8
- Elsewhere: RCSB PDB 5H47 · PDBe 5H47 · UniProt Q2UNX8
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