MolNFT v1 · #113756 · protein
Structure of the engineered retro-aldolase RA95.5-8F apo
5AOU · Indole-3-glycerol phosphate synthase: “Structure of the engineered retro-aldolase RA95.5-8F apo”. X-ray diffraction, 1 ligand (PO4), 2 pockets (best druggability 0.53). MolNFT v1 #113756 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5AOU
- Type
- protein
- Length
- 241 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Indole-3-glycerol phosphate synthase
- EC
- 4.1.1.48
- UniProt
- Q06121
- Ligands
- PO4
- Pockets
- 2 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Indole-3-glycerol phosphate synthase (EC 4.1.1.48) | protein | 241 | 42% helix, 17% strand | Q06121 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 170 | 0.53 | 0.79 | 28 | empty |
| 2 | 75 | 0.34 | 0.76 | 19 | EDO |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 5AOU · Structure of the engineered retro-aldolase RA95.5-8F apo · the same entry in another collection · chain A against A, TM-score 1.00
- Q06121 · AlphaFold monomer V2.0 prediction for indole-3-glycerol phosphate synthase (Q06121) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q06121
- Elsewhere: RCSB PDB 5AOU · PDBe 5AOU · UniProt Q06121
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.