MolNFT v1 · #177691 · protein
Structural and mechanistic studies of a novel non-heme iron EPIMERASE/LYASE and its utilization in chemoselective synthesis.
7EQK · Cupin domain-containing protein: “Structural and mechanistic studies of a novel non-heme iron EPIMERASE/LYASE and its utilization in…”. X-ray diffraction, 4 ligands (GOA, 5RN, JAX), 2 pockets (best druggability 0.60). MolNFT v1…
- PDB
- 7EQK
- Type
- protein
- Length
- 237 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cupin domain-containing protein
- UniProt
- L7PIL3
- Ligands
- GOA, 5RN, JAX, FE
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cupin domain-containing protein | protein | 119 | 3% helix, 50% strand | L7PIL3 |
| B | Cupin domain-containing protein | protein | 118 | 5% helix, 53% strand | L7PIL3 |
Ligands and binding sites
- GOA · Glycolic acid · ligand · chains A
- 5RN · 1-(1~{H}-indol-3-yl)ethanone · ligand · chains A
- JAX · (E)-3-(1H-indol-3-yl)-2-oxidanyl-but-2-enoic acid · ligand · chains B
- FE · Fe (III) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 200 | 0.60 | 0.81 | 39 | GOA, 5RN |
| 2 | 192 | 0.59 | 0.81 | 39 | JAX |
Interfaces
1 interface between chains.
- A–B · 1504 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 7EQK · Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its… · 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 L7PIL3
- Elsewhere: RCSB PDB 7EQK · PDBe 7EQK · UniProt L7PIL3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.