Research workbench
Crystal structure of an acyl-CoA thioesterase II TESB2 from mycobacterium marinum
Analyse Crystal structure of an acyl-CoA thioesterase II TESB2 from mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3U0A
- Type
- protein
- Length
- 508 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-CoA thioesterase II TESB2
- UniProt
- B2HN47
- Ligands
- NA, SO4
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 19% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl-CoA thioesterase II TESB2 | protein | 256 | 21% helix, 42% strand | B2HN47 |
| B | Acyl-CoA thioesterase II TESB2 | protein | 252 | 18% helix, 43% strand | B2HN47 |
Ligands and binding sites
- NA · Sodium ion · metal · 3 copies · chains A, B
- SO4 · Sulfate ion · ion · 8 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 211 | 0.76 | 0.91 | 47 | SO4 |
| 2 | 70 | 0.74 | 0.98 | 22 | SO4 |
| 3 | 152 | 0.47 | 0.77 | 28 | empty |
| 4 | 121 | 0.47 | 0.79 | 22 | SO4 |
| 5 | 124 | 0.42 | 0.76 | 22 | NA |
Interfaces
1 interface between chains.
- A–B · 2894 Ų buried · 56 hydrogen bonds · protein-protein
Compared structures
- 3U0A · Crystal structure of an Acyl-CoA thioesterase II TesB2 from Mycobacterium marinum · 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 B2HN47
- Elsewhere: RCSB PDB 3U0A · PDBe 3U0A · UniProt B2HN47
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.