MolNFT v1 · #39630 · protein
Mouse fumarylacetoacetate hydrolase complexes with a transition-state mimic of the complete substrate
2HZY · Fumarylacetoacetase: “Mouse fumarylacetoacetate hydrolase complexes with a transition-state mimic of the complete substrate”. X-ray diffraction, 5 ligands (DHJ, NI, NA), 9 pockets (best druggability 0.71). MolNFT v1 #39630 on…
- PDB
- 2HZY
- Type
- protein
- Length
- 834 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fumarylacetoacetase
- EC
- 3.7.1.2
- UniProt
- P35505
- Ligands
- DHJ, NI, NA, MN, CA
- Pockets
- 9 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fumarylacetoacetase (EC 3.7.1.2) | protein | 416 | 25% helix, 28% strand | P35505 |
| B | Fumarylacetoacetase (EC 3.7.1.2) | protein | 418 | 25% helix, 28% strand | P35505 |
Ligands and binding sites
- DHJ · 4-(2-carboxyethyl)(hydroxy)phosphoryl]-3-oxobutanoic acid · ligand · 2 copies · chains A, B
- NI · Nickel (II) ion · metal · 10 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- CA · Calcium ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 62 | 0.71 | 0.97 | 22 | DHJ |
| 2 | 63 | 0.54 | 0.87 | 16 | empty |
| 3 | 50 | 0.46 | 0.85 | 16 | empty |
| 4 | 106 | 0.36 | 0.73 | 17 | empty |
| 5 | 90 | 0.33 | 0.73 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2796 Ų buried · 43 hydrogen bonds · protein-protein
Compared structures
- 2HZY · Mouse fumarylacetoacetate hydrolase complexes with a transition-state mimic of the… · the same entry in another collection · chain A against A, TM-score 1.00
- P35505 · AlphaFold monomer V2.0 prediction for fumarylacetoacetase (P35505) · 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 P35505
- Elsewhere: RCSB PDB 2HZY · PDBe 2HZY · UniProt P35505
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