MolNFT v1 · #147211 · protein
Bacteroides ovatus mixed-linkage glucan utilization locus (mlgul) sgbp-a in complex with mixed-linkage heptasaccharide
6E61 · Mixed-linkage glucan utilization locus (mlgul) sgbp-B: “Bacteroides ovatus mixed-linkage glucan utilization locus (mlgul) sgbp-a in complex with mixed-linkage…”. X-ray diffraction, 2 ligands (BGC, MG), 10 pockets (best druggability…
- PDB
- 6E61
- Type
- protein
- Length
- 1,038 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mixed-linkage glucan utilization locus (mlgul) sgbp-B
- UniProt
- A7LY27
- Ligands
- BGC, MG
- Pockets
- 10 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Mixed-linkage glucan utilization locus (mlgul) sgbp-B | protein | 519 | 52% helix, 5% strand | A7LY27 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 14 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 777 | 0.80 | 0.83 | 82 | empty |
| 2 | 108 | 0.57 | 0.85 | 19 | empty |
| 3 | 114 | 0.54 | 0.83 | 19 | empty |
| 4 | 177 | 0.48 | 0.76 | 21 | empty |
| 5 | 173 | 0.47 | 0.76 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 506 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6E61 · Bacteroides ovatus mixed-linkage glucan utilization locus (MLGUL) SGBP-A in complex 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 A7LY27
- Elsewhere: RCSB PDB 6E61 · PDBe 6E61 · UniProt A7LY27
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