MolNFT v1 · #162291 · protein
Crystal structure of human gfat-1 G451E in complex with udp-glcnac
6R4J · Glutamine--fructose-6-phosphate aminotransferase…: “Crystal structure of human gfat-1 G451E in complex with udp-glcnac”. X-ray diffraction, 4 ligands (UD1, G6Q, GLU), 11 pockets (best druggability 0.87). MolNFT v1 #162291 on…
- PDB
- 6R4J
- Type
- protein
- Length
- 1,303 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1
- EC
- 2.6.1.16
- UniProt
- Q06210
- Ligands
- UD1, G6Q, GLU, MG
- Pockets
- 11 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1 (EC 2.6.1.16) | protein | 649 | 39% helix, 25% strand | Q06210 |
| B | Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1 (EC 2.6.1.16) | protein | 654 | 39% helix, 24% strand | Q06210 |
Ligands and binding sites
- UD1 · Uridine-diphosphate-N-acetylglucosamine · ligand · 2 copies · chains A, B
- G6Q · Glucose-6-phosphate · ligand · 2 copies · chains A, B
- GLU · Glutamic acid · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 627 | 0.87 | 0.92 | 51 | empty |
| 2 | 840 | 0.80 | 0.83 | 95 | empty |
| 3 | 109 | 0.78 | 0.98 | 26 | G6Q |
| 4 | 1087 | 0.77 | 0.80 | 97 | G6Q, GLU |
| 5 | 91 | 0.51 | 0.83 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2751 Ų buried · 52 hydrogen bonds · protein-protein
Compared structures
- 6R4J · Crystal structure of human GFAT-1 G451E in complex with UDP-GlcNAc · the same entry in another collection · chain A against A, TM-score 1.00
- Q06210 · AlphaFold monomer V2.0 prediction for glutamine--fructose-6-phosphate aminotransferase… · a predicted model of the same protein · chain B 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 Q06210
- Elsewhere: RCSB PDB 6R4J · PDBe 6R4J · UniProt Q06210
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