Research workbench
Linear binding motifs for jnk and for calcineurin antagonistically control the nuclear shuttling of NFAT4
Analyse Linear binding motifs for jnk and for calcineurin antagonistically control the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2XRW
- Type
- protein
- Length
- 361 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 8; Nuclear factor of activated T-cells\, cytoplasmic 3
- EC
- 2.7.11.24
- UniProt
- A1L4K2, Q12968
- Ligands
- ANP
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 8 (EC 2.7.11.24) | protein | 349 | 43% helix, 17% strand | A1L4K2 |
| B | Nuclear factor of activated T-cells\, cytoplasmic 3 | protein | 12 | 25% helix, 0% strand | Q12968 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- GOL · Glycerol · 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 | 285 | 0.64 | 0.81 | 33 | ANP |
| 2 | 50 | 0.32 | 0.78 | 16 | empty |
| 3 | 56 | 0.28 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 577 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 2XRW · Linear binding motifs for JNK and for calcineurin antagonistically control the nuclear… · the same entry in another collection · chain A against A, TM-score 1.00
- Q12968 · AlphaFold monomer V2.0 prediction for nuclear factor of activated T-cells, cytoplasmic 3… · a predicted model of the same protein · chain B against A, TM-score 0.46
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 A1L4K2
- Every structure of UniProt Q12968
- Elsewhere: RCSB PDB 2XRW · PDBe 2XRW · UniProt A1L4K2 · UniProt Q12968
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