Research workbench
Iaspp-pp-1C structure and targeting of P53
Analyse Iaspp-pp-1C structure and targeting of P53 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6DCX
- Type
- protein
- Length
- 1,010 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit; Rela-associated…
- EC
- 3.1.3.16
- UniProt
- P62136, Q8WUF5
- Pockets
- 10 · best druggability 0.55
Structure
x-ray diffraction · 4 distinct chains · 35% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit (EC 3.1.3.16) | protein | 300 | 34% helix, 19% strand | P62136 |
| B | SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit (EC 3.1.3.16) | protein | 303 | 34% helix, 19% strand | P62136 |
| C | Rela-associated inhibitor | protein | 201 | 37% helix, 14% strand | Q8WUF5 |
| D | Rela-associated inhibitor | protein | 206 | 37% helix, 16% strand | Q8WUF5 |
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 231 | 0.55 | 0.78 | 29 | empty |
| 2 | 249 | 0.54 | 0.76 | 33 | empty |
| 3 | 207 | 0.48 | 0.75 | 24 | empty |
| 4 | 116 | 0.46 | 0.78 | 22 | empty |
| 5 | 102 | 0.45 | 0.79 | 18 | empty |
Interfaces
4 interfaces between chains.
- A–D · 1607 Ų buried · 28 hydrogen bonds · protein-protein
- B–C · 1498 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 87 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 26 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6DCX · iASPP-PP-1c structure and targeting of p53 · the same entry in another collection · chain D against D, TM-score 1.00
- Q8WUF5 · AlphaFold monomer V2.0 prediction for rela-associated inhibitor (Q8WUF5) · a predicted model of the same protein · chain D against A, TM-score 0.98
- P62136 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase PP1-alpha… · a predicted model of the same protein · chain A 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 P62136
- Every structure of UniProt Q8WUF5
- Elsewhere: RCSB PDB 6DCX · PDBe 6DCX · UniProt P62136 · UniProt Q8WUF5
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