MolNFT v1 · #59675 · protein
Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with N-(3-hydroxypropyl)-glycolohydroxamic acid bisphosphate, a competitive inhibitor
3C56 · Fructose-bisphosphate aldolase: “Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with…”. X-ray diffraction, 2 ligands (PH4, ZN), 2 pockets (best druggability 0.44). MolNFT v1 #59675 on GenesisL1: 3D…
- PDB
- 3C56
- Type
- protein
- Length
- 591 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructose-bisphosphate aldolase
- EC
- 4.1.2.13
- UniProt
- P56109
- Ligands
- PH4, ZN
- Pockets
- 2 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fructose-bisphosphate aldolase (EC 4.1.2.13) | protein | 297 | 51% helix, 15% strand | P56109 |
| B | Fructose-bisphosphate aldolase (EC 4.1.2.13) | protein | 294 | 52% helix, 15% strand | P56109 |
Ligands and binding sites
- PH4 · 3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 78 | 0.44 | 0.81 | 22 | ZN, PH4 |
| 2 | 92 | 0.41 | 0.78 | 22 | ZN, PH4 |
Interfaces
1 interface between chains.
- A–B · 1933 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 3C56 · Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P56109 · AlphaFold monomer V2.0 prediction for fructose-bisphosphate aldolase (P56109) · a predicted model of the same protein · chain B 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 P56109
- Elsewhere: RCSB PDB 3C56 · PDBe 3C56 · UniProt P56109
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