MolNFT v1 · #62698 · protein
Structure of the methanococcus jannaschii KAE1-BUD32 fusion protein
3EN9 · O-sialoglycoprotein ENDOPEPTIDASE/PROTEIN kinase: “Structure of the methanococcus jannaschii KAE1-BUD32 fusion protein”. X-ray diffraction, 2 ligands (TBR, MG), 8 pockets (best druggability 0.78). MolNFT v1 #62698 on GenesisL1: 3D…
- PDB
- 3EN9
- Type
- protein
- Length
- 1,030 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- O-sialoglycoprotein ENDOPEPTIDASE/PROTEIN kinase
- EC
- 3.4.24.57
- UniProt
- Q58530
- Ligands
- TBR, MG
- Pockets
- 8 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | O-sialoglycoprotein ENDOPEPTIDASE/PROTEIN kinase (EC 3.4.24.57) | protein | 519 | 46% helix, 20% strand | Q58530 |
| B | O-sialoglycoprotein ENDOPEPTIDASE/PROTEIN kinase (EC 3.4.24.57) | protein | 511 | 47% helix, 21% strand | Q58530 |
Ligands and binding sites
- TBR · Hexatantalum dodecabromide · ligand · 2 copies · chains B, A
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 506 | 0.78 | 0.86 | 70 | empty |
| 2 | 1141 | 0.77 | 0.79 | 121 | empty |
| 3 | 335 | 0.73 | 0.85 | 43 | empty |
| 4 | 87 | 0.53 | 0.85 | 18 | empty |
| 5 | 246 | 0.52 | 0.75 | 32 | empty |
Interfaces
1 interface between chains.
- A–B · 950 Ų buried · 9 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 Q58530
- Elsewhere: RCSB PDB 3EN9 · PDBe 3EN9 · UniProt Q58530
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