MolNFT v1 · #142200 · protein
Crystal structure of human liver fructose-1,6-bisphoaphatase complex with fructose-1,6-bisphophate and AMP
5ZWK · Fructose-1,6-bisphosphatase 1: “Crystal structure of human liver fructose-1,6-bisphoaphatase complex with fructose-1,6-bisphophate and AMP”. X-ray diffraction, 3 ligands (FBP, AMP, MG), 20 pockets (best druggability 0.82). MolNFT v1…
- PDB
- 5ZWK
- Type
- protein
- Length
- 1,276 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructose-1,6-bisphosphatase 1
- UniProt
- Q2TU34
- Ligands
- FBP, AMP, MG
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Fructose-1,6-bisphosphatase 1 | protein | 319 | 39% helix, 24% strand | Q2TU34 |
Ligands and binding sites
- FBP · 1,6-di-O-phosphono-beta-D-fructofuranose · ligand · 4 copies · chains A, B, C, D
- AMP · Adenosine monophosphate · ligand · 4 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 8 copies · chains A, B, C, D
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 | 1181 | 0.82 | 0.83 | 113 | empty |
| 2 | 50 | 0.71 | 0.99 | 26 | empty |
| 3 | 628 | 0.68 | 0.76 | 54 | empty |
| 4 | 257 | 0.59 | 0.79 | 43 | FBP, MG |
| 5 | 174 | 0.54 | 0.80 | 35 | FBP |
Interfaces
6 interfaces between chains.
- C–D · 2414 Ų buried · 35 hydrogen bonds · protein-protein
- A–B · 2376 Ų buried · 31 hydrogen bonds · protein-protein
- A–C · 1275 Ų buried · 29 hydrogen bonds · protein-protein
- B–D · 1250 Ų buried · 28 hydrogen bonds · protein-protein
- B–C · 452 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5ZWK · Crystal structure of Human liver fructose-1,6-bisphoaphatase complex with… · the same entry in another collection · 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 Q2TU34
- Elsewhere: RCSB PDB 5ZWK · PDBe 5ZWK · UniProt Q2TU34
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