MolNFT v1 · #111212 · protein
Crystal structure of S-hydroxynitrile lyase from manihot esculenta (HIS103LEU)
4YK7 · (S)-hydroxynitrile lyase: “Crystal structure of S-hydroxynitrile lyase from manihot esculenta (HIS103LEU)”. X-ray diffraction, 7 pockets (best druggability 0.80). MolNFT v1 #111212 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4YK7
- Type
- protein
- Length
- 1,032 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- (S)-hydroxynitrile lyase
- EC
- 4.1.2.47
- UniProt
- P52705
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | (S)-hydroxynitrile lyase (EC 4.1.2.47) | protein | 258 | 41% helix, 17% strand | P52705 |
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 908 | 0.80 | 0.82 | 99 | empty |
| 2 | 244 | 0.48 | 0.74 | 32 | empty |
| 3 | 98 | 0.46 | 0.80 | 21 | empty |
| 4 | 194 | 0.45 | 0.74 | 26 | empty |
| 5 | 58 | 0.35 | 0.78 | 11 | empty |
Interfaces
5 interfaces between chains.
- A–B · 924 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 885 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 469 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 448 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 129 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4YK7 · Crystal structure of S-hydroxynitrile lyase from Manihot esculenta (His103Leu) · the same entry in another collection · chain A against A, TM-score 1.00
- P52705 · AlphaFold monomer V2.0 prediction for (S)-hydroxynitrile lyase (P52705) · a predicted model of the same protein · 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 P52705
- Elsewhere: RCSB PDB 4YK7 · PDBe 4YK7 · UniProt P52705
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.