MolNFT v1 · #66102 · protein
Crystal structure of effect protein avrptob complexed with kinase pto
3HGK · Protein kinase: “Crystal structure of effect protein avrptob complexed with kinase pto”. X-ray diffraction, 18 pockets (best druggability 0.85). MolNFT v1 #66102 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3HGK
- Type
- protein
- Length
- 1,458 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein kinase; Effector protein HOPAB2
- EC
- 6.3.2.-
- UniProt
- Q40234, Q8RSY1
- Pockets
- 18 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 39% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Protein kinase | protein | 288 | 35% helix, 12% strand | Q40234 |
| B | Protein kinase | protein | 288 | 37% helix, 15% strand | Q40234 |
| C | Protein kinase | protein | 286 | 37% helix, 16% strand | Q40234 |
| E, F, G, H | Effector protein HOPAB2 (EC 6.3.2.-) | protein | 77 | 65% helix, 3% strand | Q8RSY1 |
Pockets
18 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 727 | 0.85 | 0.88 | 107 | empty |
| 2 | 747 | 0.85 | 0.88 | 93 | empty |
| 3 | 291 | 0.76 | 0.89 | 42 | empty |
| 4 | 301 | 0.75 | 0.87 | 44 | empty |
| 5 | 517 | 0.72 | 0.81 | 56 | empty |
Interfaces
15 interfaces between chains.
- C–G · 1004 Ų buried · 7 hydrogen bonds · protein-protein
- B–E · 986 Ų buried · 6 hydrogen bonds · protein-protein
- D–H · 934 Ų buried · 8 hydrogen bonds · protein-protein
- A–F · 930 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 845 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (phosphorylation).
Compared structures
- 3HGK · crystal structure of effect protein AvrptoB complexed with kinase Pto · the same entry in another collection · chain H against H, TM-score 1.00
- Q8RSY1 · AlphaFold monomer V2.0 prediction for effector protein HOPAB2 (Q8RSY1) · a predicted model of the same protein · chain E against A, TM-score 0.96
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 Q40234
- Every structure of UniProt Q8RSY1
- Elsewhere: RCSB PDB 3HGK · PDBe 3HGK · UniProt Q40234 · UniProt Q8RSY1
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