MolNFT v1 · #107610 · protein
Mouse galactocerebrosidase complexed with iso-galacto-fagomine igf
4UFH: “Mouse galactocerebrosidase complexed with iso-galacto-fagomine igf”. X-ray diffraction, 4 ligands (GIF, NAG, NI), 3 pockets (best druggability 0.44). MolNFT v1 #107610 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4UFH
- Type
- protein
- Length
- 641 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galactocerebrosidase
- EC
- 3.2.1.46
- UniProt
- P54818
- Ligands
- GIF, NAG, NI, CA
- Pockets
- 3 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 18% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Galactocerebrosidase (EC 3.2.1.46) | protein | 641 | 18% helix, 34% strand | P54818 |
Ligands and binding sites
- GIF · D-galacto-isofagomine · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains A
- NI · Nickel (II) ion · metal · 2 copies · chains A
- CA · Calcium ion · metal · chains A
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 74 | 0.44 | 0.81 | 16 | empty |
| 2 | 75 | 0.44 | 0.80 | 17 | GIF, PG4 |
| 3 | 103 | 0.35 | 0.73 | 20 | empty |
Modifications
Observed in the structure: 4 glycan, 1 disulfide (N-glycosylation, disulfide).
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 P54818
- Elsewhere: RCSB PDB 4UFH · PDBe 4UFH · UniProt P54818
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