MolNFT v1 · #36820 · protein
Substrate analog (IB2) complex with the his 96 asn substitution of the fragile histidine triad protein, fhit
2FHI: “Substrate analog (IB2) complex with the his 96 asn substitution of the fragile histidine triad protein, fhit”. X-ray diffraction, 1 ligand (IB2), 1 pocket (best druggability 0.39). MolNFT v1 #36820 on GenesisL1: 3D structure…
- PDB
- 2FHI
- Type
- protein
- Length
- 124 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fragile histidine triad protein
- EC
- 3.6.1.29
- UniProt
- P49789
- Ligands
- IB2
- Pockets
- 1 · best druggability 0.39
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fragile histidine triad protein (EC 3.6.1.29) | protein | 124 | 35% helix, 25% strand | P49789 |
Ligands and binding sites
- IB2 · P1-P2-methylene-P3-thio-diadenosine triphosphate · ligand · 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 | 117 | 0.39 | 0.74 | 25 | IB2 |
Compared structures
- 2FHI · Substrate analog (IB2) complex with the his 96 asn substitution of the fragile histidine… · 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 0.99
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 P49789
- Elsewhere: RCSB PDB 2FHI · PDBe 2FHI · UniProt P49789
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