MolNFT v1 · #23279 · protein
Homoserine dehydrogenase in complex with 4-(4-hydroxy-3- isopropylphenylthio)-2-isopropylphenol
1TVE: “Homoserine dehydrogenase in complex with 4-(4-hydroxy-3- isopropylphenylthio)-2-isopropylphenol”. X-ray diffraction, 1 ligand (178), 10 pockets (best druggability 0.83). MolNFT v1 #23279 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1TVE
- Type
- protein
- Length
- 716 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Homoserine dehydrogenase
- EC
- 1.1.1.3
- UniProt
- P31116
- Ligands
- 178
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Homoserine dehydrogenase (EC 1.1.1.3) | protein | 358 | 38% helix, 19% strand | P31116 |
Ligands and binding sites
- 178 · 4-(4-hydroxy-3-isopropylphenylthio)-2-isopropylphenol · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1037 | 0.83 | 0.84 | 113 | empty |
| 2 | 412 | 0.63 | 0.77 | 33 | 178 |
| 3 | 388 | 0.60 | 0.76 | 39 | 178 |
| 4 | 50 | 0.39 | 0.81 | 14 | empty |
| 5 | 69 | 0.36 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1776 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 1TVE · Homoserine Dehydrogenase in complex with 4-(4-hydroxy-3-isopropylphenylthio)-2-isopropylph… · the same entry in another collection · chain A against A, TM-score 1.00
- P31116 · AlphaFold monomer V2.0 prediction for homoserine dehydrogenase (P31116) · a predicted model of the same protein · chain B 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 P31116
- Elsewhere: RCSB PDB 1TVE · PDBe 1TVE · UniProt P31116
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