Research workbench
Crystal structure of a putative monosaccharide binding protein (BACUNI_03039) from Bacteroides uniformis ATCC 8492 at 1.70 A resolution
Analyse Crystal structure of a putative monosaccharide binding protein (BACUNI_03039)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IAB
- Type
- protein
- Length
- 547 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.66
- Source
- Bacteroides uniformis
- Molecule
- hypothetical protein
- UniProt
- A7V626
- Ligands
- UNL
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · resolution 1.66 · 3 distinct chains · 2% helix, 58% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | hypothetical protein | protein | 142 | 2% helix, 56% strand | A7V626 |
| B, C | hypothetical protein | protein | 136 | 2% helix, 58% strand | A7V626 |
| D | hypothetical protein | protein | 133 | 2% helix, 59% strand | A7V626 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · 4 copies · chains A, B, C, D
- PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A, B, C, D
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 269 | 0.60 | 0.79 | 34 | PEG |
| 2 | 247 | 0.57 | 0.78 | 36 | PEG |
| 3 | 129 | 0.50 | 0.79 | 21 | empty |
Interfaces
3 interfaces between chains.
- C–D · 2027 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 2026 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 811 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 4IAB · Crystal structure of a putative monosaccharide binding protein (BACUNI_03039) from… · 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 A7V626
- Elsewhere: RCSB PDB 4IAB · PDBe 4IAB · UniProt A7V626
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