MolNFT v1 · #93562 · protein
Crystal structure of semet derivative of hmp synthase THI5 from S. cerevisiae
4H65 · Pyrimidine precursor biosynthesis enzyme THI5: “Crystal structure of semet derivative of hmp synthase THI5 from S. cerevisiae”. X-ray diffraction, 7 pockets (best druggability 0.81). MolNFT v1 #93562 on GenesisL1: 3D structure…
- PDB
- 4H65
- Type
- protein
- Length
- 581 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyrimidine precursor biosynthesis enzyme THI5
- UniProt
- P43534
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pyrimidine precursor biosynthesis enzyme THI5 | protein | 315 | 44% helix, 17% strand | P43534 |
| B | Pyrimidine precursor biosynthesis enzyme THI5 | protein | 266 | 44% helix, 15% strand | P43534 |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1002 | 0.81 | 0.82 | 102 | empty |
| 2 | 638 | 0.75 | 0.81 | 71 | empty |
| 3 | 386 | 0.65 | 0.79 | 37 | empty |
| 4 | 201 | 0.47 | 0.75 | 34 | empty |
| 5 | 67 | 0.38 | 0.79 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1412 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 13 modified (engineered).
Compared structures
- 4H65 · Crystal structure of SeMet derivative of HMP synthase Thi5 from S. cerevisiae · the same entry in another collection · chain A against A, TM-score 1.00
- P43534 · AlphaFold monomer V2.0 prediction for 4-amino-5-hydroxymethyl-2-methylpyrimidine… · 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 P43534
- Elsewhere: RCSB PDB 4H65 · PDBe 4H65 · UniProt P43534
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