MolNFT v1 · #22121 · protein
Initial stuctural analysis of leishmania major threonine aldolase
1SVV: “Initial stuctural analysis of leishmania major threonine aldolase”. X-ray diffraction, 1 ligand (UNL), 4 pockets (best druggability 0.72). MolNFT v1 #22121 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1SVV
- Type
- protein
- Length
- 682 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Threonine aldolase
- EC
- 4.1.2.5
- UniProt
- O15839
- Ligands
- UNL
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Threonine aldolase (EC 4.1.2.5) | protein | 340 | 42% helix, 18% strand | O15839 |
| B | Threonine aldolase (EC 4.1.2.5) | protein | 342 | 42% helix, 18% strand | O15839 |
Ligands and binding sites
- UNL · Unknown ligand · metal · 2 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 | 364 | 0.72 | 0.84 | 52 | empty |
| 2 | 350 | 0.68 | 0.82 | 53 | empty |
| 3 | 81 | 0.46 | 0.81 | 20 | empty |
| 4 | 68 | 0.43 | 0.81 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2015 Ų buried · 29 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 1SVV · Initial Stuctural Analysis of Leishmania major Threonine Aldolase · 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 O15839
- Elsewhere: RCSB PDB 1SVV · PDBe 1SVV · UniProt O15839
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