MolNFT v1 · #171722 · protein
Structure of PP1(7-300) bound to PHACTR1 (507-580) at PH8.4
6ZEE · SERINE/THREONINE-protein phosphatase PP1-alpha catalytic…: “Structure of PP1(7-300) bound to PHACTR1 (507-580) at PH8.4”. X-ray diffraction, 3 ligands (16P, MN, SO4), 20 pockets (best druggability 0.81). MolNFT v1 #171722 on…
- PDB
- 6ZEE
- Type
- protein
- Length
- 2,168 residues
- Chains
- 12
- 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
- 16P, MN, SO4
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 36% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| P, Q, B, A, I, K | SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit (EC 3.1.3.16) | protein | 294 | 34% helix, 19% strand | P62136 |
| W, X | Phosphatase and actin regulator | protein | 68 | 40% helix, 9% strand | Q4VY12 |
| D, U | Phosphatase and actin regulator | protein | 65 | 42% helix, 9% strand | Q4VY12 |
| C, V | Phosphatase and actin regulator | protein | 69 | 39% helix, 9% strand | Q4VY12 |
Ligands and binding sites
- 16P · 3,6,9,12,15,18-hexaoxaicosane · ligand · chains A
- MN · Manganese (II) ion · metal · 12 copies · chains P, Q, B, A, I, K
- SO4 · Sulfate ion · ion · 14 copies · chains P, Q, B, I, U, A, W, K, D, C, V
- EDO · 1,2-ethanediol · additive · 54 copies · chains P, Q, W, V, B, D, A, C, I, K, U, X
- GOL · Glycerol · additive · 6 copies · chains P, W, I, K, X, B, D, A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 904 | 0.81 | 0.83 | 69 | EDO, SO4 |
| 2 | 1030 | 0.78 | 0.80 | 71 | EDO, SO4 |
| 3 | 981 | 0.77 | 0.79 | 76 | EDO |
| 4 | 909 | 0.74 | 0.78 | 62 | EDO |
| 5 | 257 | 0.68 | 0.84 | 31 | empty |
Interfaces
22 interfaces between chains.
- A–C · 2369 Ų buried · 38 hydrogen bonds · protein-protein
- K–X · 2353 Ų buried · 34 hydrogen bonds · protein-protein
- P–W · 2337 Ų buried · 32 hydrogen bonds · protein-protein
- Q–V · 2327 Ų buried · 38 hydrogen bonds · protein-protein
- I–U · 2234 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 6ZEE · Structure of PP1(7-300) bound to Phactr1 (507-580) at pH8.4 · the same entry in another collection · chain V against V, 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 6ZEE · PDBe 6ZEE · UniProt P62136 · UniProt Q4VY12
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