MolNFT v1 · #181058 · protein
Structure of exo-L-galactose-6-sulfatase BUS1_11 from bacteroides uniformis in complex with neoporphyrabiose
7LJ2: “Structure of exo-L-galactose-6-sulfatase BUS1_11 from bacteroides uniformis in complex with neoporphyrabiose”. X-ray diffraction, 4 ligands (L6S, GAL, CA), 7 pockets (best druggability 0.74). MolNFT v1 #181058 on GenesisL1: 3D…
- PDB
- 7LJ2
- Type
- protein
- Length
- 1,014 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Exo-L-galactose-6-sulfatase
- UniProt
- A0A4Y1VMZ7
- Ligands
- L6S, GAL, CA, NA
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Exo-L-galactose-6-sulfatase | protein | 507 | 34% helix, 16% strand | A0A4Y1VMZ7 |
Ligands and binding sites
- L6S · 6-O-sulfo-alpha-L-galactopyranose · ligand · 2 copies · chains A, B
- GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 789 | 0.74 | 0.79 | 83 | empty |
| 2 | 200 | 0.49 | 0.76 | 29 | GAL, L6S |
| 3 | 181 | 0.49 | 0.76 | 23 | empty |
| 4 | 175 | 0.46 | 0.76 | 31 | GAL, L6S |
| 5 | 114 | 0.44 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 449 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 7LJ2 · Structure of Exo-L-galactose-6-sulfatase BuS1_11 from Bacteroides uniformis in complex… · 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 A0A4Y1VMZ7
- Elsewhere: RCSB PDB 7LJ2 · PDBe 7LJ2 · UniProt A0A4Y1VMZ7
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