MolNFT v1 · #85784 · protein
E.COLI glucosamine-6P synthase in complex with fructose-6P
4AMV · Glucosamine--fructose-6-phosphate aminotransferase [isomer…: “E.COLI glucosamine-6P synthase in complex with fructose-6P”. X-ray diffraction, 1 ligand (F6R), 20 pockets (best druggability 0.87). MolNFT v1 #85784 on GenesisL1: 3D…
- PDB
- 4AMV
- Type
- protein
- Length
- 1,824 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucosamine--fructose-6-phosphate aminotransferase [isomer izing]
- EC
- 2.6.1.16
- UniProt
- P17169
- Ligands
- F6R
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Glucosamine--fructose-6-phosphate aminotransferase [isomer izing] (EC 2.6.1.16) | protein | 608 | 41% helix, 23% strand | P17169 |
Ligands and binding sites
- F6R · Fructose -6-phosphate · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 798 | 0.87 | 0.89 | 88 | empty |
| 2 | 962 | 0.80 | 0.82 | 107 | empty |
| 3 | 803 | 0.79 | 0.83 | 104 | empty |
| 4 | 111 | 0.78 | 0.98 | 26 | F6R |
| 5 | 676 | 0.77 | 0.83 | 77 | empty |
Interfaces
2 interfaces between chains.
- B–C · 2970 Ų buried · 54 hydrogen bonds · protein-protein
- A–C · 852 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4AMV · E.COLI glucosamine-6P synthase in complex with fructose-6P · the same entry in another collection · chain A against A, TM-score 1.00
- P17169 · AlphaFold monomer V2.0 prediction for glutamine--fructose-6-phosphate aminotransferase… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P17169
- Elsewhere: RCSB PDB 4AMV · PDBe 4AMV · UniProt P17169
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