MolNFT v1 · #169471 · protein
Porcine pepsin in complex with saquinavir
6XCZ · Pepsin a: “Porcine pepsin in complex with saquinavir”. X-ray diffraction, 1 ligand (ROC), 1 pocket (best druggability 0.67). MolNFT v1 #169471 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6XCZ
- Type
- protein
- Length
- 326 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pepsin a
- EC
- 3.4.23.1
- UniProt
- P00791
- Ligands
- ROC
- Pockets
- 1 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pepsin a (EC 3.4.23.1) | protein | 326 | 15% helix, 45% strand | P00791 |
Ligands and binding sites
- ROC · (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide · ligand · 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 | 484 | 0.67 | 0.78 | 66 | ROC |
Modifications
Observed in the structure: 3 disulfide, 1 modified (disulfide, phosphorylation).
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 P00791
- Elsewhere: RCSB PDB 6XCZ · PDBe 6XCZ · UniProt P00791
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