Research workbench
Crystal structure of a putativetena family transcriptional regulator (BT_3146) from bacteroides thetaiotaomicron vpi-5482 at 2.16 a resolution
Analyse Crystal structure of a putativetena family transcriptional regulator (BT_3146)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2A2O
- Type
- protein
- Length
- 1,608 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein BT3146
- UniProt
- Q8A309
- Ligands
- K
- Pockets
- 13 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, E, G | Hypothetical protein BT3146 | protein | 230 | 73% helix, 1% strand | Q8A309 |
| D, F | Hypothetical protein BT3146 | protein | 229 | 72% helix, 1% strand | Q8A309 |
Ligands and binding sites
- K · Potassium ion · metal · 8 copies · chains B, A, C, D, E, F, G
- EDO · 1,2-ethanediol · additive · 28 copies · chains A, G, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 63 | 0.53 | 0.87 | 20 | K, EDO |
| 2 | 67 | 0.51 | 0.85 | 19 | K, EDO |
| 3 | 167 | 0.46 | 0.76 | 32 | EDO |
| 4 | 94 | 0.38 | 0.75 | 16 | EDO |
| 5 | 67 | 0.37 | 0.78 | 16 | empty |
Interfaces
7 interfaces between chains.
- A–B · 1251 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1226 Ų buried · 18 hydrogen bonds · protein-protein
- E–F · 1225 Ų buried · 18 hydrogen bonds · protein-protein
- A–F · 605 Ų buried · 5 hydrogen bonds · protein-protein
- D–E · 600 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 42 modified (engineered).
Compared structures
- 2A2O · CRYSTAL STRUCTURE OF a putativeTenA family transcriptional regulator (BT_3146) FROM… · the same entry in another collection · chain B against B, 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 Q8A309
- Elsewhere: RCSB PDB 2A2O · PDBe 2A2O · UniProt Q8A309
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.