MolNFT v1 · #90762 · protein
Crystal structure of C. albicans THI5 complexed with plp
4ESX · Pyrimidine biosynthesis enzyme THI13: “Crystal structure of C. albicans THI5 complexed with plp”. X-ray diffraction, 5 pockets (best druggability 0.71). MolNFT v1 #90762 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4ESX
- Type
- protein
- Length
- 619 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyrimidine biosynthesis enzyme THI13
- UniProt
- C4YMW2
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pyrimidine biosynthesis enzyme THI13 | protein | 310 | 50% helix, 18% strand | C4YMW2 |
| B | Pyrimidine biosynthesis enzyme THI13 | protein | 309 | 50% helix, 18% strand | C4YMW2 |
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 543 | 0.71 | 0.79 | 51 | empty |
| 2 | 55 | 0.69 | 0.97 | 25 | empty |
| 3 | 217 | 0.54 | 0.78 | 39 | empty |
| 4 | 66 | 0.50 | 0.85 | 14 | empty |
| 5 | 140 | 0.47 | 0.78 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1692 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (cofactor).
Compared structures
- 4ESX · Crystal structure of C. albicans Thi5 complexed with PLP · the same entry in another collection · chain A against A, TM-score 1.00
- C4YMW2 · AlphaFold monomer V2.0 prediction for 4-amino-5-hydroxymethyl-2-methylpyrimidine… · a predicted model of the same protein · chain B against A, TM-score 0.99
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 C4YMW2
- Elsewhere: RCSB PDB 4ESX · PDBe 4ESX · UniProt C4YMW2
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