Research workbench
Crystal structure of tiox from micromonospora sp. ML1
Analyse Crystal structure of tiox from micromonospora sp. ML1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ITW
- Type
- protein
- Length
- 249 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein tiox
- UniProt
- Q333U2
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein tiox | protein | 123 | 18% helix, 43% strand | Q333U2 |
| B | Protein tiox | protein | 126 | 17% helix, 39% strand | Q333U2 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 258 | 0.60 | 0.80 | 32 | empty |
| 2 | 113 | 0.38 | 0.74 | 23 | empty |
| 3 | 69 | 0.29 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 748 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3ITW · Crystal structure of TioX from Micromonospora sp. ML1 · 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 Q333U2
- Elsewhere: RCSB PDB 3ITW · PDBe 3ITW · UniProt Q333U2
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