Research workbench
Structure of espg-PAK2 autoinhibitory IALPHA3 helix complex
Analyse Structure of espg-PAK2 autoinhibitory IALPHA3 helix complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3PCS
- Type
- protein
- Length
- 1,447 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Espg; SERINE/THREONINE-protein kinase pak 2
- EC
- 2.7.11.1
- UniProt
- Q7DB50, Q13177
- Pockets
- 18 · best druggability 0.77
Structure
x-ray diffraction · 8 distinct chains · 33% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Espg | protein | 350 | 35% helix, 25% strand | Q7DB50 |
| B | Espg | protein | 355 | 34% helix, 26% strand | Q7DB50 |
| C | Espg | protein | 345 | 32% helix, 26% strand | Q7DB50 |
| D | Espg | protein | 348 | 32% helix, 24% strand | Q7DB50 |
| E | SERINE/THREONINE-protein kinase pak 2 (EC 2.7.11.1) | protein | 14 | 29% helix, 7% strand | Q13177 |
| F | SERINE/THREONINE-protein kinase pak 2 (EC 2.7.11.1) | protein | 12 | 25% helix, 8% strand | Q13177 |
| G | SERINE/THREONINE-protein kinase pak 2 (EC 2.7.11.1) | protein | 10 | 30% helix, 10% strand | Q13177 |
| H | SERINE/THREONINE-protein kinase pak 2 (EC 2.7.11.1) | protein | 13 | 31% helix, 8% strand | Q13177 |
Pockets
18 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 895 | 0.77 | 0.80 | 88 | empty |
| 2 | 432 | 0.64 | 0.78 | 65 | empty |
| 3 | 315 | 0.59 | 0.77 | 38 | empty |
| 4 | 382 | 0.57 | 0.75 | 60 | empty |
| 5 | 268 | 0.54 | 0.77 | 56 | empty |
Interfaces
9 interfaces between chains.
- B–C · 1087 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 1086 Ų buried · 17 hydrogen bonds · protein-protein
- D–H · 786 Ų buried · 7 hydrogen bonds · protein-protein
- A–E · 746 Ų buried · 8 hydrogen bonds · protein-protein
- C–G · 738 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3PCS · Structure of EspG-PAK2 autoinhibitory Ialpha3 helix complex · the same entry in another collection · chain H against H, TM-score 1.00
- Q13177 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase pak 2 (Q13177) · a predicted model of the same protein · chain G against A, TM-score 0.40
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 Q7DB50
- Every structure of UniProt Q13177
- Elsewhere: RCSB PDB 3PCS · PDBe 3PCS · UniProt Q7DB50 · UniProt Q13177
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.