Research workbench
Substrate analog (IB2) complex with the his 96 asn substitution of the fragile histidine triad protein, fhit
Analyse Substrate analog (IB2) complex with the his 96 asn substitution of the fragile… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 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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