MolNFT v1 · #58639 · protein
Crystal structure of long-chain alkane monooxygenase (lada)
3B9N · Alkane monoxygenase: “Crystal structure of long-chain alkane monooxygenase (lada)”. X-ray diffraction, 6 pockets (best druggability 0.79). MolNFT v1 #58639 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3B9N
- Type
- protein
- Length
- 867 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkane monoxygenase
- EC
- 1.14.15.-
- UniProt
- A4IU28
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alkane monoxygenase (EC 1.14.15.-) | protein | 433 | 44% helix, 17% strand | A4IU28 |
| B | Alkane monoxygenase (EC 1.14.15.-) | protein | 434 | 43% helix, 17% strand | A4IU28 |
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 866 | 0.79 | 0.81 | 73 | empty |
| 2 | 810 | 0.78 | 0.81 | 72 | empty |
| 3 | 491 | 0.69 | 0.79 | 43 | empty |
| 4 | 95 | 0.38 | 0.76 | 19 | empty |
| 5 | 57 | 0.25 | 0.72 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 3411 Ų buried · 46 hydrogen bonds · protein-protein
Compared structures
- 3B9N · Crystal structure of long-chain alkane monooxygenase (LadA) · 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 A4IU28
- Elsewhere: RCSB PDB 3B9N · PDBe 3B9N · UniProt A4IU28
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