Research workbench
Structure of PP1-spectrin alpha II chimera [PP1(7-304) + linker (G/S) X9 + spectrin alpha II (1025-1039)] bound to PHACTR1 (516-580)
Analyse Structure of PP1-spectrin alpha II chimera [PP1(7-304) + linker (G/S) X9 +… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6ZEH
- Type
- protein
- Length
- 742 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein phosphatase PP1-alpha catalytic SUBUNIT,SPECTRIN alpha chain…
- EC
- 3.1.3.16
- UniProt
- P62136, Q13813, Q4VY12
- Ligands
- MN, PO4, SO4
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 34% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein phosphatase PP1-alpha catalytic SUBUNIT,SPECTRIN alpha chain, non-erythrocytic 1 (EC 3.1.3.16) | protein | 304 | 34% helix, 19% strand | P62136, Q13813 |
| C, D | Phosphatase and actin regulator | protein | 65 | 40% helix, 12% strand | Q4VY12 |
| B | SERINE/THREONINE-protein phosphatase PP1-alpha catalytic SUBUNIT,SPECTRIN alpha chain, non-erythrocytic 1 (EC 3.1.3.16) | protein | 308 | 33% helix, 19% strand | P62136, Q13813 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 4 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains B
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 | 314 | 0.68 | 0.83 | 39 | empty |
| 2 | 98 | 0.44 | 0.79 | 30 | MN, PO4 |
| 3 | 57 | 0.30 | 0.76 | 17 | empty |
| 4 | 50 | 0.28 | 0.75 | 13 | empty |
Interfaces
4 interfaces between chains.
- B–D · 2726 Ų buried · 53 hydrogen bonds · protein-protein
- A–C · 2629 Ų buried · 46 hydrogen bonds · protein-protein
- C–B · 558 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 305 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6ZEH · Structure of PP1-spectrin alpha II chimera [PP1(7-304) + linker (G/S)x9 + spectrin alpha… · the same entry in another collection · chain D against D, 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 0.99
- Q13813 · AlphaFold monomer V2.0 prediction for spectrin alpha chain, non- erythrocytic 1 (Q13813) · a predicted model of the same protein · chain A against A, TM-score 0.22
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 Q13813
- Every structure of UniProt Q4VY12
- Elsewhere: RCSB PDB 6ZEH · PDBe 6ZEH · UniProt P62136 · UniProt Q13813 · UniProt Q4VY12
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