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Crystal structure of threonine synthase from thermus thermophilus HB8, trigonal crystal form
Analyse Crystal structure of threonine synthase from thermus thermophilus HB8, trigonal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1UIN
- Type
- protein
- Length
- 696 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Threonine synthase
- EC
- 4.2.3.1
- UniProt
- P83823
- Ligands
- PLP, SO4
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Threonine synthase (EC 4.2.3.1) | protein | 350 | 46% helix, 16% strand | P83823 |
| B | Threonine synthase (EC 4.2.3.1) | protein | 346 | 48% helix, 16% strand | P83823 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 607 | 0.75 | 0.81 | 66 | SO4, PLP |
| 2 | 585 | 0.74 | 0.81 | 68 | SO4, PLP |
| 3 | 146 | 0.48 | 0.78 | 21 | empty |
| 4 | 151 | 0.45 | 0.76 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 3258 Ų buried · 26 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 1UIN · Crystal Structure of Threonine Synthase from Thermus Thermophilus HB8, Trigonal Crystal… · 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 P83823
- Elsewhere: RCSB PDB 1UIN · PDBe 1UIN · UniProt P83823
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