MolNFT v1 · #89525 · protein
Three dimensional structure of de novo designed serine hydrolase OSH26, northeast structural genomics consortium (nesg) target OR89
4DRT · De novo designed serine hydrolase, OR89: “Three dimensional structure of de novo designed serine hydrolase OSH26, northeast structural genomics…”. X-ray diffraction, 2 ligands (NA, CL), 2 pockets (best druggability 0.46). MolNFT v1…
- PDB
- 4DRT
- Type
- protein
- Length
- 352 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- De novo designed serine hydrolase, OR89
- Ligands
- NA, CL
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | De novo designed serine hydrolase, OR89 | protein | 352 | 27% helix, 33% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.46 | 0.80 | 19 | empty |
| 2 | 105 | 0.38 | 0.74 | 20 | empty |
Modifications
Observed in the structure: 13 modified (engineered).
Compared structures
- 4DRT · Three dimensional structure of de novo designed serine hydrolase OSH26, 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
- Elsewhere: RCSB PDB 4DRT · PDBe 4DRT
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