MolNFT v1 · #123459 · protein
Crystal structure of esterase E22
5JKF: “Crystal structure of esterase E22”. X-ray diffraction, 9 pockets (best druggability 0.80). MolNFT v1 #123459 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5JKF
- Type
- protein
- Length
- 737 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Esterase E22
- Pockets
- 9 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Esterase E22 | protein | 369 | 40% helix, 17% strand | — |
| B | Esterase E22 | protein | 368 | 41% helix, 17% strand | — |
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 145 | 0.80 | 0.96 | 22 | empty |
| 2 | 455 | 0.70 | 0.81 | 50 | empty |
| 3 | 372 | 0.63 | 0.78 | 43 | empty |
| 4 | 218 | 0.58 | 0.80 | 25 | empty |
| 5 | 164 | 0.56 | 0.81 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 2630 Ų buried · 46 hydrogen bonds · protein-protein
Compared structures
- 5JKF · Crystal structure of esterase E22 · 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
- Elsewhere: RCSB PDB 5JKF · PDBe 5JKF
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