MolNFT v1 · #75987 · protein
Endothiapepsin in complex with a pyrrolidine based inhibitor
3Q6Y: “Endothiapepsin in complex with a pyrrolidine based inhibitor”. X-ray diffraction, 1 ligand (S47). MolNFT v1 #75987 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3Q6Y
- Type
- protein
- Length
- 305 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
- S47
Structure
x-ray diffraction · 1 distinct chain · 9% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endothiapepsin (EC 3.4.23.22) | protein | 305 | 9% helix, 45% strand | P11838 |
Ligands and binding sites
- S47 · (3S,4S)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate) · ligand · chains A
- GOL · Glycerol · additive · 2 copies · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
- 1PE · Pentaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Modifications
Observed in the structure: 1 disulfide (disulfide).
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 P11838
- Elsewhere: RCSB PDB 3Q6Y · PDBe 3Q6Y · UniProt P11838
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