Research workbench
Crystal structure of de novo design serine hydrolase OSH55.27, northeast structural genomics consortium (nesg) target OR246
Analyse Crystal structure of de novo design serine hydrolase OSH55.27, northeast… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GVV
- Type
- protein
- Length
- 649 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- De novo design serine hydrolase
- Pockets
- 9 · best druggability 0.69
Structure
x-ray diffraction · 4 distinct chains · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | De novo design serine hydrolase | protein | 165 | 39% helix, 23% strand | — |
| B | De novo design serine hydrolase | protein | 160 | 37% helix, 25% strand | — |
| C | De novo design serine hydrolase | protein | 166 | 40% helix, 22% strand | — |
| D | De novo design serine hydrolase | protein | 158 | 37% helix, 24% 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 | 93 | 0.69 | 0.93 | 24 | empty |
| 2 | 339 | 0.68 | 0.82 | 37 | empty |
| 3 | 104 | 0.66 | 0.90 | 27 | empty |
| 4 | 226 | 0.54 | 0.77 | 27 | empty |
| 5 | 174 | 0.52 | 0.79 | 28 | empty |
Interfaces
3 interfaces between chains.
- A–B · 474 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 356 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 354 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 4GVV · Crystal Structure of de novo design serine hydrolase OSH55.27, Northeast Structural… · 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 4GVV · PDBe 4GVV
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