MolNFT v1 · #171723 · protein
Structure of PP1(7-300) bound to PHACTR1 (516-580) at pH 5.25
6ZEF · SERINE/THREONINE-protein phosphatase PP1-alpha catalytic…: “Structure of PP1(7-300) bound to PHACTR1 (516-580) at pH 5.25”. X-ray diffraction, 2 ligands (MN, CL), 12 pockets (best druggability 0.64). MolNFT v1 #171723 on GenesisL1…
- PDB
- 6ZEF
- Type
- protein
- Length
- 715 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit; Phosphatase and actin…
- EC
- 3.1.3.16
- UniProt
- P62136, Q4VY12
- Ligands
- MN, CL
- Pockets
- 12 · best druggability 0.64
Structure
x-ray diffraction · 3 distinct chains · 33% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit (EC 3.1.3.16) | protein | 293 | 33% helix, 19% strand | P62136 |
| C | Phosphatase and actin regulator | protein | 65 | 32% helix, 9% strand | Q4VY12 |
| D | Phosphatase and actin regulator | protein | 64 | 34% helix, 9% strand | Q4VY12 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 4 copies · chains A, B
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 8 copies · chains A, B, D, 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 538 | 0.64 | 0.76 | 53 | empty |
| 2 | 180 | 0.51 | 0.77 | 20 | empty |
| 3 | 101 | 0.42 | 0.77 | 16 | empty |
| 4 | 157 | 0.41 | 0.73 | 29 | empty |
| 5 | 94 | 0.40 | 0.77 | 25 | MN |
Interfaces
6 interfaces between chains.
- A–C · 2386 Ų buried · 39 hydrogen bonds · protein-protein
- B–D · 2305 Ų buried · 34 hydrogen bonds · protein-protein
- B–C · 374 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 251 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 31 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6ZEF · Structure of PP1(7-300) bound to Phactr1 (516-580) at pH 5.25 · the same entry in another collection · chain A against A, TM-score 1.00
- 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 1.00
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 Q4VY12
- Elsewhere: RCSB PDB 6ZEF · PDBe 6ZEF · UniProt P62136 · UniProt Q4VY12
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