MolNFT v1 · #9134 · protein
Crystal structure of S.PNEUMONIAE N-acetylglucosamine-1-phosphate uridyltransferase, glmu, bound to acetyl coenzyme a and udp-N- acetylglucosamine
1HM9 · Udp-N-acetylglucosamine-1-phosphate uridyltransferase: “Crystal structure of S.PNEUMONIAE N-acetylglucosamine-1-phosphate uridyltransferase, glmu, bound to acetyl…”. X-ray diffraction, 3 ligands (ACO, UD1, CA), 7 pockets (best…
- PDB
- 1HM9
- Type
- protein
- Length
- 916 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-N-acetylglucosamine-1-phosphate uridyltransferase
- EC
- 2.7.7.23
- UniProt
- Q97R46
- Ligands
- ACO, UD1, CA
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 22% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Udp-N-acetylglucosamine-1-phosphate uridyltransferase (EC 2.7.7.23) | protein | 458 | 22% helix, 30% strand | Q97R46 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, B
- UD1 · Uridine-diphosphate-N-acetylglucosamine · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 455 | 0.79 | 0.87 | 45 | CA, UD1 |
| 2 | 532 | 0.78 | 0.85 | 56 | CA, UD1 |
| 3 | 50 | 0.33 | 0.78 | 14 | empty |
| 4 | 74 | 0.31 | 0.74 | 18 | empty |
| 5 | 61 | 0.30 | 0.74 | 14 | empty |
Compared structures
- 1HM9 · Crystal structure of S.PNEUMONIAE N-acetylglucosamine-1-phosphate uridyltransferase… · the same entry in another collection · chain A against A, TM-score 1.00
- Q97R46 · AlphaFold monomer V2.0 prediction for bifunctional protein glmu (Q97R46) · a predicted model of the same protein · chain A 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 Q97R46
- Elsewhere: RCSB PDB 1HM9 · PDBe 1HM9 · UniProt Q97R46
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