MolNFT v1 · #153540 · protein
Crystal structure of flavin-dependent monooxygenase hada
6JHM · Chlorophenol monooxygenase: “Crystal structure of flavin-dependent monooxygenase hada”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #153540 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6JHM
- Type
- protein
- Length
- 1,941 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chlorophenol monooxygenase
- EC
- 1.14.14.9
- UniProt
- Q53008
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 51% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chlorophenol monooxygenase (EC 1.14.14.9) | protein | 494 | 51% helix, 14% strand | Q53008 |
| B | Chlorophenol monooxygenase (EC 1.14.14.9) | protein | 491 | 51% helix, 14% strand | Q53008 |
| C | Chlorophenol monooxygenase (EC 1.14.14.9) | protein | 489 | 52% helix, 14% strand | Q53008 |
| D | Chlorophenol monooxygenase (EC 1.14.14.9) | protein | 467 | 51% helix, 15% strand | Q53008 |
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 131 | 0.81 | 0.98 | 35 | empty |
| 2 | 426 | 0.76 | 0.85 | 60 | empty |
| 3 | 88 | 0.76 | 0.97 | 20 | empty |
| 4 | 165 | 0.72 | 0.90 | 32 | empty |
| 5 | 170 | 0.70 | 0.88 | 35 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2726 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 2658 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 2630 Ų buried · 30 hydrogen bonds · protein-protein
- A–C · 2617 Ų buried · 31 hydrogen bonds · protein-protein
- B–C · 24 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6JHM · Crystal structure of Flavin-dependent Monooxygenase HadA · 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 Q53008
- Elsewhere: RCSB PDB 6JHM · PDBe 6JHM · UniProt Q53008
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