MolNFT v1 · #171724 · protein
Structure of PP1-IRSP53 chimera [PP1(7-304) + linker (G/S)X9 + IRSP53(449-465)] bound to PHACTR1 (516-580)
6ZEG · SERINE/THREONINE-protein phosphatase PP1-alpha catalytic…: “Structure of PP1-IRSP53 chimera [PP1(7-304) + linker (G/S)X9 + IRSP53(449-465)] bound to PHACTR1 (516-580)”. X-ray diffraction, 3 ligands (16P, MN, PO4), 4 pockets (best…
- PDB
- 6ZEG
- Type
- protein
- Length
- 750 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
- 16P, MN, PO4
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 4 distinct chains · 34% helix, 17% 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 | 311 | 33% helix, 18% strand | P62136, Q9UQB8 |
| C | Phosphatase and actin regulator | protein | 66 | 39% helix, 9% 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 | 308 | 32% helix, 19% strand | P62136, Q9UQB8 |
| D | Phosphatase and actin regulator | protein | 65 | 42% helix, 15% strand | Q4VY12 |
Ligands and binding sites
- 16P · 3,6,9,12,15,18-hexaoxaicosane · ligand · chains B
- MN · Manganese (II) ion · metal · 4 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 361 | 0.69 | 0.82 | 44 | 16P |
| 2 | 50 | 0.59 | 0.92 | 21 | empty |
| 3 | 73 | 0.42 | 0.80 | 22 | MN, PO4 |
| 4 | 53 | 0.26 | 0.73 | 13 | empty |
Interfaces
4 interfaces between chains.
- B–D · 2834 Ų buried · 54 hydrogen bonds · protein-protein
- A–C · 2656 Ų buried · 37 hydrogen bonds · protein-protein
- C–B · 406 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 268 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6ZEG · Structure of PP1-IRSp53 chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to… · 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 B against A, TM-score 0.98
- 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 6ZEG · PDBe 6ZEG · UniProt P62136 · UniProt Q9UQB8 · UniProt Q4VY12
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