MolNFT v1 · #115889 · protein
Crystal structure of the kinase domain of human TRAF2 and nck- interacting protein kinase
5CWZ · TRAF2 and nck-interacting protein kinase: “Crystal structure of the kinase domain of human TRAF2 and nck- interacting protein kinase”. X-ray diffraction, 8 pockets (best druggability 0.77). MolNFT v1 #115889 on GenesisL1: 3D…
- PDB
- 5CWZ
- Type
- protein
- Length
- 839 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TRAF2 and nck-interacting protein kinase
- EC
- 2.7.11.1
- UniProt
- Q9UKE5
- Pockets
- 8 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | TRAF2 and nck-interacting protein kinase (EC 2.7.11.1) | protein | 284 | 38% helix, 17% strand | Q9UKE5 |
| C | TRAF2 and nck-interacting protein kinase (EC 2.7.11.1) | protein | 271 | 32% helix, 17% strand | Q9UKE5 |
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 812 | 0.77 | 0.81 | 78 | empty |
| 2 | 770 | 0.75 | 0.80 | 87 | empty |
| 3 | 389 | 0.68 | 0.80 | 52 | empty |
| 4 | 238 | 0.62 | 0.81 | 30 | empty |
| 5 | 68 | 0.40 | 0.80 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1490 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 462 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 285 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5CWZ · Crystal structure of the kinase domain of human TRAF2 and NCK-interacting protein kinase · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UKE5 · AlphaFold monomer V2.0 prediction for TRAF2 and nck-interacting protein kinase (Q9UKE5) · a predicted model of the same protein · chain C against A, TM-score 0.97
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 Q9UKE5
- Elsewhere: RCSB PDB 5CWZ · PDBe 5CWZ · UniProt Q9UKE5
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