MolNFT v1 · #38111 · protein
Crystal structure of tetrameric biodegradative threonine deaminase (tdcb) from salmonella typhimurium in complex with cmp at 2.5A resolution (hexagonal form)
2GN2 · Threonine dehydratase catabolic: “Crystal structure of tetrameric biodegradative threonine deaminase (tdcb) from salmonella typhimurium in…”. X-ray diffraction, 2 ligands (C5P, NA), 3 pockets (best druggability 0.60). MolNFT v1…
- PDB
- 2GN2
- Type
- protein
- Length
- 326 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Threonine dehydratase catabolic
- EC
- 4.3.1.19
- UniProt
- P11954
- Ligands
- C5P, NA
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Threonine dehydratase catabolic (EC 4.3.1.19) | protein | 326 | 51% helix, 15% strand | P11954 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 362 | 0.60 | 0.76 | 29 | empty |
| 2 | 61 | 0.36 | 0.78 | 13 | empty |
| 3 | 53 | 0.32 | 0.77 | 13 | empty |
Modifications
Observed in the structure: 1 modified (cofactor).
Compared structures
- 2GN2 · Crystal structure of tetrameric biodegradative threonine deaminase (TdcB) from Salmonella… · the same entry in another collection · chain A against A, TM-score 1.00
- P11954 · AlphaFold monomer V2.0 prediction for L-threonine dehydratase catabolic tdcb (P11954) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P11954
- Elsewhere: RCSB PDB 2GN2 · PDBe 2GN2 · UniProt P11954
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