MolNFT v1 · #81461 · protein
Repack mutant (T181I, W199L, Q210I) of alpha-lytic protease
3URE: “Repack mutant (T181I, W199L, Q210I) of alpha-lytic protease”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.61). MolNFT v1 #81461 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3URE
- Type
- protein
- Length
- 396 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-lytic protease
- EC
- 3.4.21.12
- UniProt
- P00778
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alpha-lytic protease (EC 3.4.21.12) | protein | 198 | 7% helix, 56% strand | P00778 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 7 copies · chains A, B
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 | 455 | 0.61 | 0.76 | 47 | SO4 |
| 2 | 52 | 0.27 | 0.74 | 14 | SO4 |
Interfaces
1 interface between chains.
- A–B · 432 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 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 P00778
- Elsewhere: RCSB PDB 3URE · PDBe 3URE · UniProt P00778
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