MolNFT v1 · #29504 · protein
Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with partially disordered tagatose-1,6-bisphosphate, a weak competitive inhibitor
1ZAL · Fructose-bisphosphate aldolase a: “Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with partially disordered…”. X-ray diffraction, 1 ligand (PO4), 20 pockets (best druggability 0.88). MolNFT v1 #29504 on GenesisL1…
- PDB
- 1ZAL
- Type
- protein
- Length
- 1,452 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructose-bisphosphate aldolase a
- EC
- 4.1.2.13
- UniProt
- P00883
- Ligands
- PO4
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Fructose-bisphosphate aldolase a (EC 4.1.2.13) | protein | 363 | 44% helix, 14% strand | P00883 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 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, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1080 | 0.88 | 0.90 | 119 | empty |
| 2 | 587 | 0.83 | 0.88 | 75 | empty |
| 3 | 255 | 0.73 | 0.87 | 36 | empty |
| 4 | 409 | 0.73 | 0.83 | 58 | empty |
| 5 | 584 | 0.71 | 0.80 | 65 | PO4 |
Interfaces
6 interfaces between chains.
- B–C · 1644 Ų buried · 25 hydrogen bonds · protein-protein
- A–D · 1526 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1230 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 1211 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 102 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1ZAL · Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with partially… · the same entry in another collection · chain D against D, TM-score 1.00
- P00883 · AlphaFold monomer V2.0 prediction for fructose-bisphosphate aldolase a (P00883) · a predicted model of the same protein · chain D 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 P00883
- Elsewhere: RCSB PDB 1ZAL · PDBe 1ZAL · UniProt P00883
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