MolNFT v1 · #37195 · protein
Berylloflouride SPO0F complex with SPO0B
2FTK · Sporulation initiation phosphotransferase B: “Berylloflouride SPO0F complex with SPO0B”. X-ray diffraction, 1 ligand (MG), 13 pockets (best druggability 0.79). MolNFT v1 #37195 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2FTK
- Type
- protein
- Length
- 1,202 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sporulation initiation phosphotransferase B; Sporulation initiation phosphotransferase F
- EC
- 2.7.-.-
- UniProt
- P06535, P06628
- Ligands
- MG
- Pockets
- 13 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Sporulation initiation phosphotransferase B (EC 2.7.-.-) | protein | 181 | 51% helix, 23% strand | P06535 |
| B, D | Sporulation initiation phosphotransferase B (EC 2.7.-.-) | protein | 182 | 51% helix, 23% strand | P06535 |
| E, F, G, H | Sporulation initiation phosphotransferase F (EC 2.7.-.-) | protein | 119 | 45% helix, 24% strand | P06628 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, E, B, F, G, D, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1079 | 0.79 | 0.80 | 89 | empty |
| 2 | 613 | 0.78 | 0.84 | 60 | MG |
| 3 | 615 | 0.78 | 0.84 | 57 | empty |
| 4 | 668 | 0.78 | 0.83 | 64 | MG |
| 5 | 539 | 0.62 | 0.75 | 53 | empty |
Interfaces
14 interfaces between chains.
- C–D · 2008 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 1947 Ų buried · 6 hydrogen bonds · protein-protein
- B–F · 1049 Ų buried · 9 hydrogen bonds · protein-protein
- A–E · 1038 Ų buried · 10 hydrogen bonds · protein-protein
- D–H · 1021 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (nonstandard).
Compared structures
- 2FTK · berylloflouride Spo0F complex with Spo0B · the same entry in another collection · chain H against H, TM-score 1.00
- P06535 · AlphaFold monomer V2.0 prediction for sporulation initiation phosphotransferase B (P06535) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P06628 · AlphaFold monomer V2.0 prediction for sporulation initiation phosphotransferase F (P06628) · a predicted model of the same protein · chain E against A, TM-score 0.97
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 P06535
- Every structure of UniProt P06628
- Elsewhere: RCSB PDB 2FTK · PDBe 2FTK · UniProt P06535 · UniProt P06628
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