MolNFT v1 · #189567 · protein
The complex structure of beta-1,2-glucosyltransferase from ignavibacterium album with ethyl alpha-D-glucoside
7VL2: “The complex structure of beta-1,2-glucosyltransferase from ignavibacterium album with ethyl alpha-D-glucoside”. X-ray diffraction, 2 ligands (BW3, CA), 14 pockets (best druggability 0.84). MolNFT v1 #189567 on GenesisL1: 3D…
- PDB
- 7VL2
- Type
- protein
- Length
- 1,408 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-1,2-glucosyltransferase
- UniProt
- I0AIT9
- Ligands
- BW3, CA
- Pockets
- 14 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 36% 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 | 702 | 36% helix, 24% strand | I0AIT9 |
Ligands and binding sites
- BW3 · (2~{S},3~{R},4~{S},5~{S},6~{R})-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol · 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
14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 826 | 0.84 | 0.86 | 121 | BW3 |
| 2 | 256 | 0.73 | 0.87 | 36 | empty |
| 3 | 376 | 0.67 | 0.80 | 57 | empty |
| 4 | 347 | 0.66 | 0.81 | 56 | empty |
| 5 | 276 | 0.56 | 0.77 | 45 | empty |
Interfaces
1 interface between chains.
- A–B · 1885 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 7VL2 · 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 7VL2 · PDBe 7VL2 · UniProt I0AIT9
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