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Crystal structure of an a-L-fucosidase GH29 from bacteroides thetaiotaomicron (BT2192) in complex with iptg
Analyse Crystal structure of an a-L-fucosidase GH29 from bacteroides thetaiotaomicron… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4OUE
- Type
- protein
- Length
- 918 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative lipoprotein
- EC
- 3.2.1.111
- UniProt
- Q8A5P6
- Ligands
- IPT
- Pockets
- 8 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative lipoprotein (EC 3.2.1.111) | protein | 459 | 32% helix, 24% strand | Q8A5P6 |
Ligands and binding sites
- IPT · 1-methylethyl 1-thio-beta-D-galactopyranoside · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 298 | 0.54 | 0.75 | 40 | empty |
| 2 | 87 | 0.53 | 0.84 | 25 | IPT, GOL |
| 3 | 235 | 0.52 | 0.76 | 39 | empty |
| 4 | 83 | 0.48 | 0.82 | 26 | GOL, IPT |
| 5 | 152 | 0.46 | 0.77 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 619 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4OUE · Crystal structure of an a-L-Fucosidase GH29 from Bacteroides thetaiotaomicron (BT2192) in… · 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 Q8A5P6
- Elsewhere: RCSB PDB 4OUE · PDBe 4OUE · UniProt Q8A5P6
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