Research workbench
Structure of PP1-IRSP53 S455E chimera [PP1(7-304) + linker (G/S)X9 + IRSP53(449-465)] bound to PHACTR1 (516-580)
Analyse Structure of PP1-IRSP53 S455E 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
- 6ZEI
- 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,BRAIN-specific…
- EC
- 3.1.3.16
- UniProt
- P62136, Q9UQB8, Q4VY12
- Ligands
- MN, PO4
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 34% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein phosphatase PP1-alpha catalytic SUBUNIT,BRAIN-specific angiogenesis inhibitor 1-associated protein 2 (EC 3.1.3.16) | protein | 305 | 34% helix, 19% strand | P62136, Q9UQB8 |
| C, D | Phosphatase and actin regulator | protein | 65 | 40% helix, 11% strand | Q4VY12 |
| B | SERINE/THREONINE-protein phosphatase PP1-alpha catalytic SUBUNIT,BRAIN-specific angiogenesis inhibitor 1-associated protein 2 (EC 3.1.3.16) | protein | 307 | 34% helix, 19% strand | P62136, Q9UQB8 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 4 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 364 | 0.68 | 0.81 | 45 | GOL |
| 2 | 75 | 0.67 | 0.94 | 21 | empty |
| 3 | 60 | 0.67 | 0.95 | 18 | GOL |
| 4 | 58 | 0.32 | 0.76 | 14 | empty |
| 5 | 50 | 0.30 | 0.76 | 13 | empty |
Interfaces
4 interfaces between chains.
- B–D · 2732 Ų buried · 48 hydrogen bonds · protein-protein
- A–C · 2636 Ų buried · 46 hydrogen bonds · protein-protein
- C–B · 444 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 227 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6ZEI · Structure of PP1-IRSp53 S455E chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)]… · 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
- Q9UQB8 · AlphaFold monomer V2.0 prediction for brain-specific angiogenesis inhibitor 1-associated… · a predicted model of the same protein · chain B against A, TM-score 0.19
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 Q9UQB8
- Every structure of UniProt Q4VY12
- Elsewhere: RCSB PDB 6ZEI · PDBe 6ZEI · UniProt P62136 · UniProt Q9UQB8 · UniProt Q4VY12
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