MolNFT v1 · #19195 · protein
Crystal structure of fumarylacetoacetate hydrolase
1QCN: “Crystal structure of fumarylacetoacetate hydrolase”. X-ray diffraction, 2 ligands (CA, NI), 11 pockets (best druggability 0.74). MolNFT v1 #19195 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1QCN
- Type
- protein
- Length
- 835 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fumarylacetoacetate hydrolase
- EC
- 3.7.1.2
- UniProt
- P35505
- Ligands
- CA, NI
- Pockets
- 11 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fumarylacetoacetate hydrolase (EC 3.7.1.2) | protein | 416 | 24% helix, 27% strand | P35505 |
| B | Fumarylacetoacetate hydrolase (EC 3.7.1.2) | protein | 419 | 23% helix, 28% strand | P35505 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
- NI · Nickel (II) ion · metal · chains B
- ACT · Acetate ion · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 263 | 0.74 | 0.87 | 43 | ACT |
| 2 | 127 | 0.71 | 0.91 | 25 | ACT |
| 3 | 62 | 0.50 | 0.85 | 15 | empty |
| 4 | 57 | 0.49 | 0.85 | 15 | empty |
| 5 | 76 | 0.33 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2815 Ų buried · 44 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 32 modified (engineered).
Compared structures
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 1QCN · PDBe 1QCN · UniProt P35505
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