Research workbench
Crystal structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1, covalently bound with diisopropyl fluorophosphate (dfp), northeast structural genomics consortium (nesg) target OR273
Analyse Crystal structure of the evolved variant of the computationally designed serine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JVV
- Type
- protein
- Length
- 158 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Evolved variant of the computationally designed serine hydrolase
- Pockets
- 2 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Evolved variant of the computationally designed serine hydrolase | protein | 158 | 42% helix, 25% strand | — |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 141 | 0.52 | 0.80 | 24 | empty |
| 2 | 86 | 0.38 | 0.77 | 25 | empty |
Modifications
Observed in the structure: 2 modified (engineered, nonstandard).
Compared structures
- 4JVV · Crystal structure of the evolved variant of the computationally designed serine… · 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 4JVV · PDBe 4JVV
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