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Crystal structure of the putative thioesterase from shewanella oneidensis, northeast structural genomics target SOR51
Analyse Crystal structure of the putative thioesterase from shewanella oneidensis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1T82
- Type
- protein
- Length
- 570 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical acetyltransferase
- UniProt
- Q8E989
- Pockets
- 6 · best druggability 0.68
Structure
x-ray diffraction · 4 distinct chains · 34% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical acetyltransferase | protein | 143 | 35% helix, 37% strand | Q8E989 |
| B | Hypothetical acetyltransferase | protein | 147 | 34% helix, 36% strand | Q8E989 |
| C | Hypothetical acetyltransferase | protein | 144 | 33% helix, 37% strand | Q8E989 |
| D | Hypothetical acetyltransferase | protein | 136 | 32% helix, 39% strand | Q8E989 |
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 192 | 0.68 | 0.86 | 32 | empty |
| 2 | 216 | 0.67 | 0.85 | 35 | empty |
| 3 | 222 | 0.67 | 0.84 | 36 | empty |
| 4 | 164 | 0.66 | 0.86 | 24 | empty |
| 5 | 244 | 0.58 | 0.79 | 23 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1215 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1196 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 507 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 20 modified (engineered).
Compared structures
- 1T82 · Crystal Structure of the putative thioesterase from Shewanella oneidensis, Northeast… · 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 Q8E989
- Elsewhere: RCSB PDB 1T82 · PDBe 1T82 · UniProt Q8E989
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