MolNFT v1 · #142750 · protein
X-ray structure of the photosystem II phosphatase pbcp
6AE9 · Probable protein phosphatase 2C 1: “X-ray structure of the photosystem II phosphatase pbcp”. X-ray diffraction, 4 ligands (POG, MG, MN), 6 pockets (best druggability 0.78). MolNFT v1 #142750 on GenesisL1: 3D structure, binding sites…
- PDB
- 6AE9
- Type
- protein
- Length
- 506 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable protein phosphatase 2C 1
- EC
- 3.1.3.16
- UniProt
- Q942P9
- Ligands
- POG, MG, MN, PO4
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Probable protein phosphatase 2C 1 (EC 3.1.3.16) | protein | 253 | 32% helix, 30% strand | Q942P9 |
Ligands and binding sites
- POG · (20S)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol · ligand · 3 copies · chains A, B
- MG · Magnesium ion · metal · 6 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1069 | 0.78 | 0.80 | 61 | MG, POG |
| 2 | 112 | 0.39 | 0.75 | 25 | empty |
| 3 | 95 | 0.39 | 0.76 | 15 | empty |
| 4 | 67 | 0.38 | 0.80 | 14 | MG, PO4 |
| 5 | 64 | 0.38 | 0.79 | 18 | MG, PO4 |
Interfaces
1 interface between chains.
- A–B · 1019 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (nonstandard).
Compared structures
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 Q942P9
- Elsewhere: RCSB PDB 6AE9 · PDBe 6AE9 · UniProt Q942P9
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