MolNFT v1 · #179358 · protein
Crystal structure of L-threonine transaldolase from pseudomonas fluorescens in internal aldimine state
7K34 · Threonine aldolase: “Crystal structure of L-threonine transaldolase from pseudomonas fluorescens in internal aldimine state”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.85). MolNFT v1 #179358 on GenesisL1: 3D…
- PDB
- 7K34
- Type
- protein
- Length
- 1,764 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Threonine aldolase
- EC
- 4.1.2.5
- UniProt
- A0A1X9LWZ7
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Threonine aldolase (EC 4.1.2.5) | protein | 440 | 49% helix, 13% strand | A0A1X9LWZ7 |
| B, D | Threonine aldolase (EC 4.1.2.5) | protein | 441 | 49% helix, 13% strand | A0A1X9LWZ7 |
| C | Threonine aldolase (EC 4.1.2.5) | protein | 442 | 50% helix, 13% strand | A0A1X9LWZ7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 9 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 903 | 0.85 | 0.87 | 89 | SO4 |
| 2 | 545 | 0.70 | 0.80 | 46 | SO4 |
| 3 | 541 | 0.70 | 0.79 | 41 | SO4 |
| 4 | 50 | 0.68 | 0.96 | 16 | empty |
| 5 | 513 | 0.67 | 0.78 | 40 | SO4 |
Interfaces
5 interfaces between chains.
- A–B · 5229 Ų buried · 63 hydrogen bonds · protein-protein
- C–D · 5148 Ų buried · 65 hydrogen bonds · protein-protein
- B–D · 558 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 286 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 92 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (cofactor).
Compared structures
- 7K34 · Crystal structure of L-threonine transaldolase from Pseudomonas fluorescens in internal… · 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 A0A1X9LWZ7
- Elsewhere: RCSB PDB 7K34 · PDBe 7K34 · UniProt A0A1X9LWZ7
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