Research workbench
Class II fructose-1,6-bisphosphate aldolase in complex with phosphoglycolohydroxamate
Analyse Class II fructose-1,6-bisphosphate aldolase in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1B57
- Type
- protein
- Length
- 692 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (fructose-bisphosphate aldolase II)
- EC
- 4.1.2.13
- UniProt
- P0AB71
- Ligands
- PGH, ZN, NA, CL
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein (fructose-bisphosphate aldolase II) (EC 4.1.2.13) | protein | 346 | 50% helix, 14% strand | P0AB71 |
Ligands and binding sites
- PGH · Phosphoglycolohydroxamic acid · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 7 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 91 | 0.76 | 0.98 | 28 | empty |
| 2 | 94 | 0.74 | 0.96 | 29 | empty |
| 3 | 105 | 0.57 | 0.85 | 31 | PGH |
| 4 | 141 | 0.56 | 0.82 | 39 | ZN, PGH |
| 5 | 101 | 0.43 | 0.78 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 2772 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 1B57 · Class II fructose-1,6-bisphosphate aldolase in complex with phosphoglycolohydroxamate · the same entry in another collection · chain A against A, TM-score 1.00
- P0AB71 · AlphaFold monomer V2.0 prediction for fructose-bisphosphate aldolase class 2 (P0AB71) · 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 P0AB71
- Elsewhere: RCSB PDB 1B57 · PDBe 1B57 · UniProt P0AB71
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