Research workbench
Aurora-a kinase domain in complex with vnar-D01 S93R
Analyse Aurora-a kinase domain in complex with vnar-D01 S93R in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5L8J
- Type
- protein
- Length
- 358 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aurora kinase a; New antigen receptor variable domain
- EC
- 2.7.11.1
- UniProt
- O14965, Q8JJ25
- Ligands
- ADP
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aurora kinase a (EC 2.7.11.1) | protein | 253 | 43% helix, 18% strand | O14965 |
| B | New antigen receptor variable domain | protein | 105 | 3% helix, 51% strand | Q8JJ25 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 359 | 0.60 | 0.77 | 33 | ADP |
| 2 | 91 | 0.34 | 0.74 | 15 | EDO |
| 3 | 80 | 0.34 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 891 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
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 O14965
- Every structure of UniProt Q8JJ25
- Elsewhere: RCSB PDB 5L8J · PDBe 5L8J · UniProt O14965 · UniProt Q8JJ25
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.