MolNFT v1 · #185958 · protein
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 13)
7QN3: “Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 13)”. X-ray diffraction, 1 ligand (U1H), 1 pocket (best druggability 0.60). MolNFT v1 #185958 on GenesisL1: 3D structure, binding…
- PDB
- 7QN3
- Type
- protein
- Length
- 330 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endothiapepsin
- EC
- 3.4.23.22
- UniProt
- P11838
- Ligands
- U1H
- Pockets
- 1 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endothiapepsin (EC 3.4.23.22) | protein | 330 | 11% helix, 46% strand | P11838 |
Ligands and binding sites
- U1H · [4-(trifluoromethyl)phenyl]methanamine · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · 4 copies · chains A
- PG5 · 1-methoxy-2-[2-(2-methoxy-ethoxy]-ethane · additive · 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 | 351 | 0.60 | 0.77 | 39 | U1H, PG5, DMS |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7QN3 · Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping… · the same entry in another collection · chain A against A, TM-score 1.00
- P11838 · AlphaFold monomer V2.0 prediction for endothiapepsin (P11838) · 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 P11838
- Elsewhere: RCSB PDB 7QN3 · PDBe 7QN3 · UniProt P11838
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.