MolNFT v1 · #104930 · protein
1.7 ångström structure of a bacterial phosphotransferase
4QPK: “1.7 ångström structure of a bacterial phosphotransferase”. X-ray diffraction, 2 ligands (NA, PO4), 4 pockets (best druggability 0.51). MolNFT v1 #104930 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4QPK
- Type
- protein
- Length
- 412 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphotransferase
- UniProt
- Q2YQA5
- Ligands
- NA, PO4
- Pockets
- 4 · best druggability 0.51
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphotransferase | protein | 205 | 52% helix, 16% strand | Q2YQA5 |
| B | Phosphotransferase | protein | 207 | 51% helix, 18% strand | Q2YQA5 |
Ligands and binding sites
- NA · Sodium ion · metal · chains B
- PO4 · Phosphate ion · ion · chains B
- GOL · Glycerol · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 170 | 0.51 | 0.78 | 24 | GOL |
| 2 | 60 | 0.40 | 0.81 | 22 | empty |
| 3 | 132 | 0.39 | 0.74 | 24 | empty |
| 4 | 54 | 0.29 | 0.75 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 1548 Ų buried · 5 hydrogen bonds · protein-protein
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 Q2YQA5
- Elsewhere: RCSB PDB 4QPK · PDBe 4QPK · UniProt Q2YQA5
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