MolNFT v1 · #13450 · protein
Crystal structure of a complex (P32 crystal form) of dual activity FBPASE/IMPASE (AF2372) from archaeoglobus fulgidus with 3 calcium ions and fructose-1,6 bisphosphate
1LBZ · Fructose 1,6-BISPHOSPHATASE/INOSITOL monophosphatase: “Crystal structure of a complex (P32 crystal form) of dual activity FBPASE/IMPASE (AF2372) from archaeoglobus…”. X-ray diffraction, 2 ligands (FBP, CA), 7 pockets (best…
- PDB
- 1LBZ
- Type
- protein
- Length
- 504 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructose 1,6-BISPHOSPHATASE/INOSITOL monophosphatase
- EC
- 3.1.3.11, 3.1.3.25
- UniProt
- O30298
- Ligands
- FBP, CA
- Pockets
- 7 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fructose 1,6-BISPHOSPHATASE/INOSITOL monophosphatase (EC 3.1.3.11, 3.1.3.25) | protein | 252 | 31% helix, 30% strand | O30298 |
Ligands and binding sites
- FBP · 1,6-di-O-phosphono-beta-D-fructofuranose · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 6 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 | 421 | 0.69 | 0.81 | 36 | FBP, CA |
| 2 | 437 | 0.68 | 0.80 | 38 | FBP, CA |
| 3 | 163 | 0.42 | 0.74 | 23 | empty |
| 4 | 62 | 0.29 | 0.74 | 15 | empty |
| 5 | 53 | 0.28 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1160 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 1LBZ · Crystal Structure of a complex (P32 crystal form) of dual activity FBPase/IMPase (AF2372)… · the same entry in another collection · chain A against A, TM-score 1.00
- O30298 · AlphaFold monomer V2.0 prediction for fructose-1,6-BISPHOSPHATASE/INOSITOL-1-monophosphata… · 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 O30298
- Elsewhere: RCSB PDB 1LBZ · PDBe 1LBZ · UniProt O30298
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