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Crystal structure of Structural genomics protein of unknown function (NP_812590.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.70 A resolution
Analyse Crystal structure of Structural genomics protein of unknown function… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3HRP
- Type
- protein
- Length
- 400 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.7
- Source
- Bacteroides thetaiotaomicron VPI-5482
- Molecule
- Uncharacterized protein
- UniProt
- Q8A1I2
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · resolution 1.7 · 1 distinct chain · 2% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 400 | 2% helix, 50% strand | Q8A1I2 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 14 copies · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
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 | 311 | 0.71 | 0.84 | 31 | EDO |
| 2 | 131 | 0.64 | 0.87 | 25 | MPD, EDO |
Modifications
Observed in the structure: 5 modified (engineered).
Compared structures
- 3HRP · Crystal structure of structural genomics protein of unknown function (NP_812590.1) 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 Q8A1I2
- Elsewhere: RCSB PDB 3HRP · PDBe 3HRP · UniProt Q8A1I2
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