MolNFT v1 · #128173 · protein
Ethr complex
5NIM · Hth-type transcriptional regulator ethr: “Ethr complex”. X-ray diffraction, 2 ligands (8YE, SO4), 1 pocket (best druggability 0.72). MolNFT v1 #128173 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5NIM
- Type
- protein
- Length
- 196 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator ethr
- UniProt
- P9WMC1
- Ligands
- 8YE, SO4
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator ethr | protein | 196 | 78% helix, 0% strand | P9WMC1 |
Ligands and binding sites
- 8YE · [1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 179 | 0.72 | 0.89 | 27 | 8YE |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
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 P9WMC1
- Elsewhere: RCSB PDB 5NIM · PDBe 5NIM · UniProt P9WMC1
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