Research workbench
Crystal structure of chlorophenol 4-monooxygenase (tftd) of burkholderia cepacia AC1100
Analyse Crystal structure of chlorophenol 4-monooxygenase (tftd) of burkholderia… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3HWC
- Type
- protein
- Length
- 1,928 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chlorophenol-4-monooxygenase component 2
- UniProt
- O87009
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Chlorophenol-4-monooxygenase component 2 | protein | 482 | 47% helix, 14% strand | O87009 |
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 845 | 0.82 | 0.84 | 103 | empty |
| 2 | 911 | 0.78 | 0.81 | 76 | empty |
| 3 | 494 | 0.78 | 0.86 | 58 | empty |
| 4 | 894 | 0.77 | 0.80 | 67 | empty |
| 5 | 504 | 0.76 | 0.84 | 53 | empty |
Interfaces
6 interfaces between chains.
- A–D · 3660 Ų buried · 47 hydrogen bonds · protein-protein
- B–C · 3508 Ų buried · 38 hydrogen bonds · protein-protein
- A–C · 2511 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 2405 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 91 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3HWC · Crystal Structure of Chlorophenol 4-Monooxygenase (TftD) of Burkholderia cepacia AC1100 · the same entry in another collection · chain A against A, TM-score 1.00
- O87009 · AlphaFold monomer V2.0 prediction for FADH(2)-dependent monooxygenase tftd (O87009) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 O87009
- Elsewhere: RCSB PDB 3HWC · PDBe 3HWC · UniProt O87009
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