MolNFT v1 · #61961 · protein
Crystal structure of a thioesterase family protein from silicibacter pomeroyi. northeast structural genomics target SIR180A
3E1E: “Crystal structure of a thioesterase family protein from silicibacter pomeroyi. northeast structural genomics…”. X-ray diffraction, 15 pockets (best druggability 0.86). MolNFT v1 #61961 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3E1E
- Type
- protein
- Length
- 1,118 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioesterase family protein
- UniProt
- Q5LMG0
- Pockets
- 15 · best druggability 0.86
Structure
x-ray diffraction · 4 distinct chains · 26% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioesterase family protein | protein | 136 | 26% helix, 46% strand | Q5LMG0 |
| B | Thioesterase family protein | protein | 140 | 26% helix, 41% strand | Q5LMG0 |
| C, E, F, G, H | Thioesterase family protein | protein | 141 | 25% helix, 45% strand | Q5LMG0 |
| D | Thioesterase family protein | protein | 137 | 26% helix, 46% strand | Q5LMG0 |
Pockets
15 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 918 | 0.86 | 0.88 | 105 | empty |
| 2 | 401 | 0.74 | 0.84 | 41 | empty |
| 3 | 331 | 0.74 | 0.86 | 41 | empty |
| 4 | 399 | 0.74 | 0.84 | 43 | empty |
| 5 | 358 | 0.73 | 0.84 | 41 | empty |
Interfaces
15 interfaces between chains.
- B–F · 1240 Ų buried · 22 hydrogen bonds · protein-protein
- A–H · 1193 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 1187 Ų buried · 18 hydrogen bonds · protein-protein
- E–G · 1156 Ų buried · 19 hydrogen bonds · protein-protein
- A–E · 605 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3E1E · Crystal structure of a Thioesterase family protein from Silicibacter pomeroyi. NorthEast… · the same entry in another collection · chain D against D, 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 Q5LMG0
- Elsewhere: RCSB PDB 3E1E · PDBe 3E1E · UniProt Q5LMG0
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