Research workbench
Structure of HIPA(D309Q) bound to ADP
Analyse Structure of HIPA(D309Q) bound to ADP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TPT
- Type
- protein
- Length
- 834 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase hipa
- EC
- 2.7.11.1
- UniProt
- P23874
- Ligands
- ADP, MG, SO4
- Pockets
- 9 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase hipa (EC 2.7.11.1) | protein | 415 | 39% helix, 21% strand | P23874 |
| B | SERINE/THREONINE-protein kinase hipa (EC 2.7.11.1) | protein | 419 | 37% helix, 21% strand | P23874 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 3 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 231 | 0.78 | 0.92 | 33 | ADP, MG |
| 2 | 359 | 0.78 | 0.88 | 55 | ADP, MG |
| 3 | 640 | 0.71 | 0.79 | 60 | empty |
| 4 | 95 | 0.36 | 0.75 | 19 | empty |
| 5 | 78 | 0.31 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 321 Ų buried · 5 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 P23874
- Elsewhere: RCSB PDB 3TPT · PDBe 3TPT · UniProt P23874
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