MolNFT v1 · #98962 · protein
Endothiapepsin complexed with phe-reduced-tyr peptide.
4LP9: “Endothiapepsin complexed with phe-reduced-tyr peptide.”. X-ray diffraction, 2 ligands (22G, SO4), 2 pockets (best druggability 0.63). MolNFT v1 #98962 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4LP9
- Type
- protein
- Length
- 336 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endothiapepsin; Ser-leu-phe-his-phenylalanyl-reduced-peptide-bond-tyrosyl- thr-pro
- EC
- 3.4.23.22
- UniProt
- P11838
- Ligands
- 22G, SO4
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endothiapepsin (EC 3.4.23.22) | protein | 330 | 10% helix, 45% strand | P11838 |
| I | Ser-leu-phe-his-phenylalanyl-reduced-peptide-bond-tyrosyl- thr-pro | protein | 6 | 0% helix, 0% strand | — |
Ligands and binding sites
- 22G · N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine · ligand · chains A, I
- SO4 · Sulfate ion · ion · 3 copies · chains A
- GOL · Glycerol · additive · 6 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 | 74 | 0.63 | 0.91 | 21 | 22G |
| 2 | 72 | 0.42 | 0.80 | 17 | 22G |
Interfaces
1 interface between chains.
- A–I · 572 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent, 1 disulfide (covalent ligand, 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 4LP9 · PDBe 4LP9 · UniProt P11838
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