MolNFT v1 · #93466 · protein
Crystal structure of JNK3 in complex with sab peptide
4H3B · Mitogen-activated protein kinase 10: “Crystal structure of JNK3 in complex with sab peptide”. X-ray diffraction, 7 pockets (best druggability 0.65). MolNFT v1 #93466 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4H3B
- Type
- protein
- Length
- 722 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 10; SH3 domain-binding protein 5
- EC
- 2.7.11.24
- UniProt
- P53779, O60239
- Pockets
- 7 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Mitogen-activated protein kinase 10 (EC 2.7.11.24) | protein | 351 | 42% helix, 16% strand | P53779 |
| B, D | SH3 domain-binding protein 5 | protein | 10 | 0% helix, 0% strand | O60239 |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 528 | 0.65 | 0.77 | 58 | empty |
| 2 | 82 | 0.55 | 0.85 | 19 | empty |
| 3 | 88 | 0.52 | 0.83 | 20 | empty |
| 4 | 113 | 0.37 | 0.74 | 19 | empty |
| 5 | 98 | 0.37 | 0.75 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–B · 601 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 590 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 584 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4H3B · Crystal Structure of JNK3 in Complex with SAB Peptide · the same entry in another collection · chain A against A, TM-score 1.00
- P53779 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase 10 (P53779) · a predicted model of the same protein · chain A against A, TM-score 0.94
- O60239 · AlphaFold monomer V2.0 prediction for SH3 domain-binding protein 5 (O60239) · a predicted model of the same protein · chain D against A, TM-score 0.31
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 P53779
- Every structure of UniProt O60239
- Elsewhere: RCSB PDB 4H3B · PDBe 4H3B · UniProt P53779 · UniProt O60239
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