MolNFT v1 · #63739 · protein
Fhit (fragile histidine triad protein) in complex with ADENOSINE/SULFATE AMP analog
3FIT · Fragile histidine protein: “Fhit (fragile histidine triad protein) in complex with ADENOSINE/SULFATE AMP analog”. X-ray diffraction, 3 ligands (A, FRU, SO4), 1 pocket (best druggability 0.36). MolNFT v1 #63739 on GenesisL1: 3D…
- PDB
- 3FIT
- Type
- protein
- Length
- 124 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fragile histidine protein
- UniProt
- P49789
- Ligands
- A, FRU, SO4
- Pockets
- 1 · best druggability 0.36
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fragile histidine protein | protein | 124 | 34% helix, 23% strand | P49789 |
Ligands and binding sites
- A · Adenosine-5'-monophosphate · ligand · chains A
- FRU · beta-D-fructofuranose · sugar · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 112 | 0.36 | 0.74 | 23 | SO4, A |
Modifications
Observed in the structure: 2 modified (engineered).
Compared structures
- 3FIT · Fhit (fragile histidine triad protein) in complex with ADENOSINE/SULFATE AMP analog · the same entry in another collection · chain A against A, TM-score 1.00
- P49789 · AlphaFold monomer V2.0 prediction for BIS(5'-adenosyl)-triphosphatase (P49789) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P49789
- Elsewhere: RCSB PDB 3FIT · PDBe 3FIT · UniProt P49789
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