MolNFT v1 · #18126 · protein
Crystal structure of the response regulator SPO0F complexed with MN2+
1PEY · Sporulation initiation phosphotransferase F: “Crystal structure of the response regulator SPO0F complexed with MN2+”. X-ray diffraction, 1 ligand (MN), 2 pockets (best druggability 0.50). MolNFT v1 #18126 on GenesisL1: 3D structure…
- PDB
- 1PEY
- Type
- protein
- Length
- 359 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sporulation initiation phosphotransferase F
- EC
- 2.7.-.-
- UniProt
- P06628
- Ligands
- MN
- Pockets
- 2 · best druggability 0.50
Structure
x-ray diffraction · 3 distinct chains · 46% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sporulation initiation phosphotransferase F (EC 2.7.-.-) | protein | 119 | 46% helix, 21% strand | P06628 |
| B | Sporulation initiation phosphotransferase F (EC 2.7.-.-) | protein | 120 | 47% helix, 23% strand | P06628 |
| C | Sporulation initiation phosphotransferase F (EC 2.7.-.-) | protein | 120 | 45% helix, 23% strand | P06628 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 146 | 0.50 | 0.79 | 26 | empty |
| 2 | 132 | 0.46 | 0.77 | 23 | empty |
Interfaces
1 interface between chains.
- B–C · 493 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 1PEY · Crystal structure of the Response Regulator Spo0F complexed with Mn2+ · the same entry in another collection · chain A against A, TM-score 1.00
- P06628 · AlphaFold monomer V2.0 prediction for sporulation initiation phosphotransferase F (P06628) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P06628
- Elsewhere: RCSB PDB 1PEY · PDBe 1PEY · UniProt P06628
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