MolNFT v1 · #112833 · protein
Crystal structure of hydroquinone 1,2-dioxygenase pnpcd
4ZXD · Hydroquinone dioxygenase small subunit: “Crystal structure of hydroquinone 1,2-dioxygenase pnpcd”. X-ray diffraction, 8 pockets (best druggability 0.86). MolNFT v1 #112833 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4ZXD
- Type
- protein
- Length
- 965 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroquinone dioxygenase small subunit; Hydroquinone dioxygenase large subunit
- UniProt
- C1I210, C1I209
- Pockets
- 8 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 14% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hydroquinone dioxygenase small subunit | protein | 160 | 7% helix, 49% strand | C1I210 |
| W | Hydroquinone dioxygenase large subunit | protein | 324 | 17% helix, 35% strand | C1I209 |
| X | Hydroquinone dioxygenase large subunit | protein | 321 | 16% helix, 34% strand | C1I209 |
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 944 | 0.86 | 0.87 | 103 | empty |
| 2 | 610 | 0.74 | 0.81 | 66 | empty |
| 3 | 422 | 0.66 | 0.79 | 63 | empty |
| 4 | 457 | 0.62 | 0.76 | 51 | empty |
| 5 | 383 | 0.59 | 0.76 | 45 | empty |
Interfaces
5 interfaces between chains.
- B–X · 3039 Ų buried · 53 hydrogen bonds · protein-protein
- A–W · 3019 Ų buried · 53 hydrogen bonds · protein-protein
- W–X · 1147 Ų buried · 10 hydrogen bonds · protein-protein
- A–X · 187 Ų buried · 1 hydrogen bond · protein-protein
- B–W · 183 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4ZXD · Crystal Structure of hydroqui 1,2-dioxygenase PnpCD · 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 C1I210
- Every structure of UniProt C1I209
- Elsewhere: RCSB PDB 4ZXD · PDBe 4ZXD · UniProt C1I210 · UniProt C1I209
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