MolNFT v1 · #94059 · protein
Crystal structure of antibiotic biosynthesis monooxygenase
4HL9: “Crystal structure of antibiotic biosynthesis monooxygenase”. X-ray diffraction, 12 pockets (best druggability 0.65). MolNFT v1 #94059 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4HL9
- Type
- protein
- Length
- 855 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antibiotic biosynthesis monooxygenase
- UniProt
- Q2RXF1
- Pockets
- 12 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I | Antibiotic biosynthesis monooxygenase | protein | 95 | 41% helix, 41% strand | Q2RXF1 |
Pockets
12 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 553 | 0.65 | 0.76 | 65 | empty |
| 2 | 138 | 0.55 | 0.81 | 22 | empty |
| 3 | 128 | 0.54 | 0.82 | 24 | empty |
| 4 | 141 | 0.54 | 0.81 | 22 | empty |
| 5 | 114 | 0.54 | 0.82 | 21 | empty |
Interfaces
10 interfaces between chains.
- G–H · 1052 Ų buried · 11 hydrogen bonds · protein-protein
- E–F · 1037 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1028 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 997 Ų buried · 13 hydrogen bonds · protein-protein
- C–I · 324 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 36 modified (engineered, oxidation).
Compared structures
- 4HL9 · Crystal structure of antibiotic biosynthesis monooxygenase · 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 Q2RXF1
- Elsewhere: RCSB PDB 4HL9 · PDBe 4HL9 · UniProt Q2RXF1
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