MolNFT v1 · #189572 · protein
The complex structure of beta-1,2-glucosyltransferase from ignavibacterium album with esculin
7VL7: “The complex structure of beta-1,2-glucosyltransferase from ignavibacterium album with esculin”. X-ray diffraction, 2 ligands (7OU, CA), 20 pockets (best druggability 0.77). MolNFT v1 #189572 on GenesisL1: 3D structure, binding sites…
- PDB
- 7VL7
- Type
- protein
- Length
- 1,409 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-1,2-glucosyltransferase
- UniProt
- I0AIT9
- Ligands
- 7OU, CA
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-1,2-glucosyltransferase | protein | 706 | 35% helix, 24% strand | I0AIT9 |
| B | Beta-1,2-glucosyltransferase | protein | 703 | 35% helix, 24% strand | I0AIT9 |
Ligands and binding sites
- 7OU · 6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one · ligand · chains A
- CA · Calcium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 297 | 0.77 | 0.89 | 52 | 7OU |
| 2 | 94 | 0.72 | 0.94 | 25 | empty |
| 3 | 258 | 0.72 | 0.86 | 39 | empty |
| 4 | 56 | 0.72 | 0.98 | 21 | empty |
| 5 | 369 | 0.70 | 0.83 | 57 | empty |
Interfaces
1 interface between chains.
- A–B · 1936 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 7VL7 · The complex structure of beta-1,2-glucosyltransferase from Ignavibacterium album with… · 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 I0AIT9
- Elsewhere: RCSB PDB 7VL7 · PDBe 7VL7 · UniProt I0AIT9
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