MolNFT v1 · #174228 · protein
Hydroxynitrile lyase from parafonteria laminate
7BOW: “Hydroxynitrile lyase from parafonteria laminate”. X-ray diffraction, 3 pockets (best druggability 0.62). MolNFT v1 #174228 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7BOW
- Type
- protein
- Length
- 329 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxynitrile lyase
- Pockets
- 3 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxynitrile lyase | protein | 165 | 13% helix, 38% strand | — |
| B | Hydroxynitrile lyase | protein | 164 | 13% helix, 38% strand | — |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.62 | 0.93 | 20 | empty |
| 2 | 90 | 0.43 | 0.79 | 17 | empty |
| 3 | 114 | 0.42 | 0.77 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1506 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 7BOW · Hydroxynitrile lyase from Parafonteria laminate · 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 7BOW · PDBe 7BOW
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