MolNFT v1 · #101656 · protein
Human ptpa in complex with peptide
4NY3 · SERINE/THREONINE-protein phosphatase 2A activator: “Human ptpa in complex with peptide”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.82). MolNFT v1 #101656 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4NY3
- Type
- protein
- Length
- 607 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein phosphatase 2A activator; SERINE/THREONINE-protein phosphatase…
- EC
- 5.2.1.8
- UniProt
- Q15257, P67775
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 60% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein phosphatase 2A activator (EC 5.2.1.8) | protein | 299 | 61% helix, 4% strand | Q15257 |
| B | SERINE/THREONINE-protein phosphatase 2A activator (EC 5.2.1.8) | protein | 298 | 60% helix, 4% strand | Q15257 |
| C, D | SERINE/THREONINE-protein phosphatase 2A catalytic subunit alpha isoform | protein | 5 | 0% helix, 0% strand | P67775 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1170 | 0.82 | 0.83 | 114 | SO4 |
| 2 | 130 | 0.39 | 0.74 | 19 | empty |
| 3 | 66 | 0.38 | 0.78 | 16 | empty |
| 4 | 87 | 0.32 | 0.74 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–B · 674 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 363 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 331 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4NY3 · Human PTPA in complex with peptide · the same entry in another collection · chain A against A, TM-score 1.00
- Q15257 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 2A activator… · a predicted model of the same protein · chain A against A, TM-score 1.00
- P67775 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 2A catalytic… · a predicted model of the same protein · chain C against A, TM-score 0.74
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 Q15257
- Every structure of UniProt P67775
- Elsewhere: RCSB PDB 4NY3 · PDBe 4NY3 · UniProt Q15257 · UniProt P67775
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