MolNFT v1 · #91558 · protein
Crystal structure of prolegumain
4FGU: “Crystal structure of prolegumain”. X-ray diffraction, 1 ligand (NAG), 7 pockets (best druggability 0.57). MolNFT v1 #91558 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4FGU
- Type
- protein
- Length
- 811 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Legumain
- EC
- 3.4.22.34
- UniProt
- Q99538
- Ligands
- NAG
- Pockets
- 7 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Legumain (EC 3.4.22.34) | protein | 407 | 40% helix, 14% strand | Q99538 |
| B | Legumain (EC 3.4.22.34) | protein | 404 | 40% helix, 15% strand | Q99538 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 88 | 0.57 | 0.87 | 24 | empty |
| 2 | 91 | 0.57 | 0.86 | 27 | empty |
| 3 | 365 | 0.54 | 0.74 | 35 | empty |
| 4 | 71 | 0.39 | 0.79 | 13 | empty |
| 5 | 71 | 0.38 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 57 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 4 glycan (disulfide, N-glycosylation).
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 Q99538
- Elsewhere: RCSB PDB 4FGU · PDBe 4FGU · UniProt Q99538
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