MolNFT v1 · #62202 · protein
Crystal structure of the protein Q8E9M7 from shewanella oneidensis related to thioesterase superfamily. northeast structural genomics consortium target SOR246.
3E8P · Uncharacterized protein: “Crystal structure of the protein Q8E9M7 from shewanella oneidensis related to thioesterase superfamily.…”. X-ray diffraction, 4 pockets (best druggability 0.77). MolNFT v1 #62202 on GenesisL1: 3D structure…
- PDB
- 3E8P
- Type
- protein
- Length
- 612 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q8E9M7
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Uncharacterized protein | protein | 153 | 37% helix, 36% strand | Q8E9M7 |
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 492 | 0.77 | 0.85 | 44 | empty |
| 2 | 472 | 0.76 | 0.84 | 45 | empty |
| 3 | 492 | 0.75 | 0.83 | 39 | empty |
| 4 | 494 | 0.75 | 0.83 | 47 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1264 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 1233 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 661 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 648 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 447 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3E8P · Crystal structure of the protein Q8E9M7 from Shewanella oneidensis related to… · 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 Q8E9M7
- Elsewhere: RCSB PDB 3E8P · PDBe 3E8P · UniProt Q8E9M7
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