Research workbench
Bacteroides ovatus mixed linkage glucan pul (mlgul) GH16 in complex with G4G4G3G product
Analyse Bacteroides ovatus mixed linkage glucan pul (mlgul) GH16 in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5NBP
- Type
- protein
- Length
- 474 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycosyl hydrolase family 16
- UniProt
- A7LY25
- Ligands
- BGC, CA
- Pockets
- 2 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glycosyl hydrolase family 16 | protein | 237 | 7% helix, 48% strand | A7LY25 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 7 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 897 | 0.80 | 0.82 | 84 | BGC |
| 2 | 257 | 0.53 | 0.76 | 43 | EDO |
Interfaces
1 interface between chains.
- A–B · 739 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 5NBP · Bacteroides ovatus mixed linkage glucan PUL (MLGUL) GH16 in complex with G4G4G3G Product · 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 A7LY25
- Elsewhere: RCSB PDB 5NBP · PDBe 5NBP · UniProt A7LY25
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