MolNFT v1 · #53511 · protein
Intracellular subtilisin precursor from B. clausii
2WWT · Intracellular subtilisin protease: “Intracellular subtilisin precursor from B. clausii”. X-ray diffraction, 1 ligand (NA), 12 pockets (best druggability 0.59). MolNFT v1 #53511 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2WWT
- Type
- protein
- Length
- 1,804 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Intracellular subtilisin protease
- EC
- 3.4.21.62
- UniProt
- D0AB41
- Ligands
- NA
- Pockets
- 12 · best druggability 0.59
Structure
x-ray diffraction · 5 distinct chains · 31% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | Intracellular subtilisin protease (EC 3.4.21.62) | protein | 299 | 31% helix, 24% strand | D0AB41 |
| B | Intracellular subtilisin protease (EC 3.4.21.62) | protein | 298 | 30% helix, 25% strand | D0AB41 |
| C | Intracellular subtilisin protease (EC 3.4.21.62) | protein | 300 | 32% helix, 25% strand | D0AB41 |
| D | Intracellular subtilisin protease (EC 3.4.21.62) | protein | 306 | 32% helix, 23% strand | D0AB41 |
| F | Intracellular subtilisin protease (EC 3.4.21.62) | protein | 302 | 32% helix, 21% strand | D0AB41 |
Ligands and binding sites
- NA · Sodium ion · metal · 5 copies · chains B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 306 | 0.59 | 0.78 | 38 | empty |
| 2 | 238 | 0.57 | 0.79 | 29 | empty |
| 3 | 217 | 0.57 | 0.79 | 30 | empty |
| 4 | 215 | 0.55 | 0.78 | 28 | empty |
| 5 | 139 | 0.50 | 0.79 | 26 | empty |
Interfaces
5 interfaces between chains.
- E–F · 1609 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 1591 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1591 Ų buried · 17 hydrogen bonds · protein-protein
- B–E · 248 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 217 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2WWT · Intracellular subtilisin precursor from B. clausii · the same entry in another collection · 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 D0AB41
- Elsewhere: RCSB PDB 2WWT · PDBe 2WWT · UniProt D0AB41
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