MolNFT v1 · #98506 · protein
5-chloro-2-hydroxyhydroquinone dehydrochlorinase (tftg) from burkholderia phenoliruptrix AC1100: selenomethionyl apo-form
4LBI: “5-chloro-2-hydroxyhydroquinone dehydrochlorinase (tftg) from burkholderia phenoliruptrix AC1100…”. X-ray diffraction, 8 pockets (best druggability 0.74). MolNFT v1 #98506 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4LBI
- Type
- protein
- Length
- 376 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5-chloro-2-hydroxyhydroquinone dehydrochlorinase (tftg)
- UniProt
- Q45075
- Pockets
- 8 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | 5-chloro-2-hydroxyhydroquinone dehydrochlorinase (tftg) | protein | 94 | 39% helix, 36% strand | Q45075 |
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 219 | 0.74 | 0.89 | 28 | empty |
| 2 | 350 | 0.69 | 0.82 | 44 | empty |
| 3 | 348 | 0.68 | 0.82 | 42 | empty |
| 4 | 220 | 0.68 | 0.85 | 30 | empty |
| 5 | 117 | 0.48 | 0.80 | 20 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1151 Ų buried · 26 hydrogen bonds · protein-protein
- A–C · 1149 Ų buried · 28 hydrogen bonds · protein-protein
- A–D · 531 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 508 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 160 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 4LBI · 5-chloro-2-hydroxyhydroqui dehydrochlorinase (TftG) from Burkholderia phenoliruptrix… · the same entry in another collection · chain B against B, 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 Q45075
- Elsewhere: RCSB PDB 4LBI · PDBe 4LBI · UniProt Q45075
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