MolNFT v1 · #108125 · protein
Improved variant of (R)-selective manganese-dependent hydroxynitrile lyase from bacteria
4UXA · Cupin 2 conserved barrel domain protein: “Improved variant of (R)-selective manganese-dependent hydroxynitrile lyase from bacteria”. X-ray diffraction, 1 ligand (MN), 20 pockets (best druggability 0.88). MolNFT v1 #108125 on…
- PDB
- 4UXA
- Type
- protein
- Length
- 2,620 residues
- Chains
- 20
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cupin 2 conserved barrel domain protein
- UniProt
- E8WYN5
- Ligands
- MN
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T | Cupin 2 conserved barrel domain protein | protein | 131 | 0% helix, 49% strand | E8WYN5 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 20 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1166 | 0.88 | 0.89 | 113 | empty |
| 2 | 1178 | 0.88 | 0.89 | 113 | empty |
| 3 | 1124 | 0.88 | 0.89 | 113 | empty |
| 4 | 1152 | 0.88 | 0.89 | 112 | empty |
| 5 | 1118 | 0.88 | 0.89 | 112 | empty |
Interfaces
52 interfaces between chains.
- G–H · 1562 Ų buried · 25 hydrogen bonds · protein-protein
- K–L · 1544 Ų buried · 25 hydrogen bonds · protein-protein
- Q–R · 1542 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 1538 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 1538 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 4UXA · Improved variant of (R)-selective manganese-dependent hydroxynitrile lyase from bacteria · 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 E8WYN5
- Elsewhere: RCSB PDB 4UXA · PDBe 4UXA · UniProt E8WYN5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.