Research workbench
Crystal structure of HIRA(644-1017)
Analyse Crystal structure of HIRA(644-1017) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5YJE
- Type
- protein
- Length
- 932 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.45
- Source
- Homo sapiens
- Molecule
- Protein HIRA
- UniProt
- P54198
- Ligands
- SO4
- Pockets
- 12 · best druggability 0.75
Structure
x-ray diffraction · resolution 2.45 · 3 distinct chains · 29% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein HIRA | protein | 315 | 30% helix, 36% strand | P54198 |
| B | Protein HIRA | protein | 318 | 28% helix, 34% strand | P54198 |
| C | Protein HIRA | protein | 299 | 28% helix, 38% strand | P54198 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 207 | 0.75 | 0.90 | 43 | empty |
| 2 | 223 | 0.73 | 0.88 | 39 | empty |
| 3 | 348 | 0.72 | 0.84 | 52 | empty |
| 4 | 359 | 0.69 | 0.82 | 41 | empty |
| 5 | 367 | 0.68 | 0.81 | 38 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1554 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 1535 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 1501 Ų buried · 18 hydrogen bonds · protein-protein
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 P54198
- Elsewhere: RCSB PDB 5YJE · PDBe 5YJE · UniProt P54198
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