MolNFT v1 · #60789 · protein
Structure of 4D3, a thermostable mutant of bacillus subtilis lipase obtained through directed evolution
3D2C: “Structure of 4D3, a thermostable mutant of bacillus subtilis lipase obtained through directed evolution”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #60789 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3D2C
- Type
- protein
- Length
- 2,148 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipase
- EC
- 3.1.1.3
- UniProt
- P37957
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | Lipase (EC 3.1.1.3) | protein | 179 | 43% helix, 20% strand | P37957 |
Pockets
20 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1008 | 0.82 | 0.83 | 78 | empty |
| 2 | 1106 | 0.81 | 0.82 | 82 | empty |
| 3 | 306 | 0.57 | 0.76 | 45 | empty |
| 4 | 242 | 0.53 | 0.76 | 38 | empty |
| 5 | 154 | 0.39 | 0.73 | 24 | empty |
Interfaces
18 interfaces between chains.
- B–I · 437 Ų buried · 2 hydrogen bonds · protein-protein
- C–E · 412 Ų buried · 2 hydrogen bonds · protein-protein
- E–F · 408 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 403 Ų buried · 2 hydrogen bonds · protein-protein
- J–L · 395 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3D2C · Structure of 4D3, a thermostable mutant of Bacillus subtilis lipase obtained through… · the same entry in another collection · chain L against L, 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 P37957
- Elsewhere: RCSB PDB 3D2C · PDBe 3D2C · UniProt P37957
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