MolNFT v1 · #55635 · protein
Crystal structure of uridine-diphospho-N-acetylglucosamine pyrophosphorylase from candida albicans, in the reaction-completed form
2YQJ · Udp-N-acetylglucosamine pyrophosphorylase: “Crystal structure of uridine-diphospho-N-acetylglucosamine pyrophosphorylase from candida albicans, in the…”. X-ray diffraction, 3 ligands (UD1, MG, SO4), 13 pockets (best druggability…
- PDB
- 2YQJ
- Type
- protein
- Length
- 944 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-N-acetylglucosamine pyrophosphorylase
- EC
- 2.7.7.23
- UniProt
- O74933
- Ligands
- UD1, MG, SO4
- Pockets
- 13 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-N-acetylglucosamine pyrophosphorylase (EC 2.7.7.23) | protein | 473 | 38% helix, 21% strand | O74933 |
| B | Udp-N-acetylglucosamine pyrophosphorylase (EC 2.7.7.23) | protein | 471 | 39% helix, 22% strand | O74933 |
Ligands and binding sites
- UD1 · Uridine-diphosphate-N-acetylglucosamine · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 557 | 0.77 | 0.84 | 61 | SO4, UD1 |
| 2 | 548 | 0.76 | 0.83 | 59 | UD1 |
| 3 | 471 | 0.63 | 0.76 | 36 | empty |
| 4 | 160 | 0.54 | 0.80 | 22 | SO4 |
| 5 | 207 | 0.53 | 0.78 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 116 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2YQJ · Crystal Structure of uridine-diphospho-N-acetylglucosamine pyrophosphorylase from Candida… · the same entry in another collection · chain A against A, TM-score 1.00
- O74933 · AlphaFold monomer V2.0 prediction for udp-N-acetylglucosamine pyrophosphorylase (O74933) · 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 O74933
- Elsewhere: RCSB PDB 2YQJ · PDBe 2YQJ · UniProt O74933
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