MolNFT v1 · #121411 · protein
Structure of candida albicans trehalose-6-phosphate synthase E341R/E346R in complex with udp-glucose
5HUV · ALPHA,ALPHA-trehalose-phosphate synthase [udp-forming]: “Structure of candida albicans trehalose-6-phosphate synthase E341R/E346R in complex with udp-glucose”. X-ray diffraction, 1 ligand (UPG), 6 pockets (best druggability 0.78).…
- PDB
- 5HUV
- Type
- protein
- Length
- 933 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALPHA,ALPHA-trehalose-phosphate synthase [udp-forming]
- EC
- 2.4.1.15
- UniProt
- Q92410
- Ligands
- UPG
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALPHA,ALPHA-trehalose-phosphate synthase [udp-forming] (EC 2.4.1.15) | protein | 469 | 49% helix, 19% strand | Q92410 |
| B | ALPHA,ALPHA-trehalose-phosphate synthase [udp-forming] (EC 2.4.1.15) | protein | 464 | 48% helix, 18% strand | Q92410 |
Ligands and binding sites
- UPG · Uridine-5'-diphosphate-glucose · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 997 | 0.78 | 0.79 | 70 | UPG |
| 2 | 895 | 0.77 | 0.80 | 60 | UPG |
| 3 | 737 | 0.68 | 0.75 | 72 | empty |
| 4 | 89 | 0.48 | 0.82 | 22 | empty |
| 5 | 126 | 0.43 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1059 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 5HUV · Structure of Candida albicans trehalose-6-phosphate synthase E341R/E346R in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q92410 · AlphaFold monomer V2.0 prediction for ALPHA,ALPHA-trehalose-phosphate synthase… · a predicted model of the same protein · 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 Q92410
- Elsewhere: RCSB PDB 5HUV · PDBe 5HUV · UniProt Q92410
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