Research workbench
Biphenyl-2,3-diol-soaked terminal oxygenase of carbazole 1,9A- dioxygenase
Analyse Biphenyl-2,3-diol-soaked terminal oxygenase of carbazole 1,9A- dioxygenase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6LLM
- Type
- protein
- Length
- 388 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Terminal oxygenase component of carbazole
- UniProt
- Q84II6
- Ligands
- FES, BPY, FE2
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Terminal oxygenase component of carbazole | protein | 388 | 28% helix, 32% strand | Q84II6 |
Ligands and binding sites
- FES · Fe2/s2 (inorganic) cluster · ligand · chains A
- BPY · Biphenyl-2,3-diol · ligand · chains A
- FE2 · Fe (II) ion · metal · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 245 | 0.72 | 0.87 | 34 | BPY |
| 2 | 51 | 0.43 | 0.83 | 13 | empty |
| 3 | 123 | 0.42 | 0.76 | 19 | empty |
| 4 | 78 | 0.31 | 0.74 | 16 | empty |
Compared structures
- 6LLM · Biphenyl-2,3-diol-soaked terminal oxygenase of carbazole 1,9a-dioxygenase · 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 Q84II6
- Elsewhere: RCSB PDB 6LLM · PDBe 6LLM · UniProt Q84II6
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