MolNFT v1 · #83904 · protein
S-selective hydroxynitrile lyase from baliospermum montanum (APO1)
3WWO · (S)-hydroxynitrile lyase: “S-selective hydroxynitrile lyase from baliospermum montanum (APO1)”. X-ray diffraction, 1 ligand (CA), 6 pockets (best druggability 0.71). MolNFT v1 #83904 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3WWO
- Type
- protein
- Length
- 513 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- (S)-hydroxynitrile lyase
- UniProt
- D1MX73
- Ligands
- CA
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | (S)-hydroxynitrile lyase | protein | 256 | 40% helix, 20% strand | D1MX73 |
| B | (S)-hydroxynitrile lyase | protein | 257 | 40% helix, 19% strand | D1MX73 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 205 | 0.71 | 0.87 | 34 | CA, MPD |
| 2 | 199 | 0.71 | 0.88 | 34 | CA, MPD |
| 3 | 142 | 0.38 | 0.73 | 23 | empty |
| 4 | 109 | 0.35 | 0.73 | 21 | empty |
| 5 | 61 | 0.32 | 0.75 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 925 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3WWO · S-selective hydroxynitrile lyase from Baliospermum montanum (apo1) · 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
- Every structure of UniProt D1MX73
- Elsewhere: RCSB PDB 3WWO · PDBe 3WWO · UniProt D1MX73
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.