MolNFT v1 · #63659 · protein
Structural basis of PP2A and sgo interaction
3FGA · SERINE/THREONINE-protein phosphatase 2A 65 kda regulatory…: “Structural basis of PP2A and sgo interaction”. X-ray diffraction, 4 ligands (1ZN, FGA, DAM), 12 pockets (best druggability 0.76). MolNFT v1 #63659 on GenesisL1: 3D…
- PDB
- 3FGA
- Type
- protein
- Length
- 1,340 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein phosphatase 2A 65 kda regulatory subunit a alpha isoform…
- EC
- 3.1.3.16
- UniProt
- Q76MZ3, Q13362, P67775, Q5FBB7
- Ligands
- 1ZN, FGA, DAM, MN
- Pockets
- 12 · best druggability 0.76
Structure
x-ray diffraction · 5 distinct chains · 66% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein phosphatase 2A 65 kda regulatory subunit a alpha isoform | protein | 583 | 78% helix, 0% strand | Q76MZ3 |
| B | SERINE/THREONINE-protein phosphatase 2A 56 kda regulatory subunit gamma isoform | protein | 403 | 70% helix, 0% strand | Q13362 |
| C | SERINE/THREONINE-protein phosphatase 2A catalytic subunit alpha isoform (EC 3.1.3.16) | protein | 303 | 35% helix, 17% strand | P67775 |
| D | Shugoshin-like 1 | protein | 47 | 91% helix, 0% strand | Q5FBB7 |
| E | Microcystin-lr | protein | 4 | 0% helix, 0% strand | — |
Ligands and binding sites
- 1ZN · (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid · ligand · chains C, E
- FGA · Gamma-D-glutamic acid · ligand · chains C, E
- DAM · N-methyl-alpha-beta-dehydroalanine · ligand · chains C, E
- MN · Manganese (II) ion · metal · 2 copies · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 732 | 0.76 | 0.81 | 72 | empty |
| 2 | 873 | 0.76 | 0.79 | 84 | empty |
| 3 | 599 | 0.65 | 0.76 | 56 | empty |
| 4 | 277 | 0.62 | 0.80 | 37 | 1ZN, FGA, MN |
| 5 | 268 | 0.53 | 0.75 | 36 | empty |
Interfaces
7 interfaces between chains.
- A–B · 1681 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 1425 Ų buried · 29 hydrogen bonds · protein-protein
- B–C · 1172 Ų buried · 19 hydrogen bonds · protein-protein
- B–D · 517 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 444 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 covalent, 1 d-amino, 1 modified (covalent ligand, D-amino acid, nonstandard).
Compared structures
- 3FGA · Structural Basis of PP2A and Sgo interaction · the same entry in another collection · chain E against E, 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 0.97
- Q5FBB7 · AlphaFold monomer V2.0 prediction for shugoshin 1 (Q5FBB7) · a predicted model of the same protein · chain D against A, TM-score 0.94
- Q13362 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 2A 56 kda… · a predicted model of the same protein · chain B against A, TM-score 0.94
- Q76MZ3 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 2A 65 kda… · a predicted model of the same protein · chain A against A, TM-score 0.90
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 Q76MZ3
- Every structure of UniProt Q13362
- Every structure of UniProt P67775
- Every structure of UniProt Q5FBB7
- Elsewhere: RCSB PDB 3FGA · PDBe 3FGA · UniProt Q76MZ3 · UniProt Q13362 · UniProt P67775 · UniProt Q5FBB7
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