MolNFT v1 · #98078 · protein
Partial structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to mbp.
4KYD · Maltose-binding periplasmic protein, phosphoprotein…: “Partial structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to mbp.”. X-ray diffraction, 1 ligand (GLC), 6 pockets (best druggability 0.72). MolNFT v1 #98078…
- PDB
- 4KYD
- Type
- protein
- Length
- 801 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltose-binding periplasmic protein, phosphoprotein, chimeric construct
- UniProt
- P0AEX9, P21738
- Ligands
- GLC
- Pockets
- 6 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Maltose-binding periplasmic protein, phosphoprotein, chimeric construct | protein | 401 | 48% helix, 19% strand | P0AEX9, P21738 |
| B | Maltose-binding periplasmic protein, phosphoprotein, chimeric construct | protein | 400 | 50% helix, 20% strand | P0AEX9, P21738 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B
- MPO · 3[N-morpholino]propane sulfonic acid · additive · 6 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 920 | 0.72 | 0.76 | 71 | empty |
| 2 | 265 | 0.71 | 0.85 | 30 | GLC |
| 3 | 266 | 0.70 | 0.85 | 29 | GLC, MPO |
| 4 | 267 | 0.53 | 0.75 | 26 | empty |
| 5 | 263 | 0.51 | 0.75 | 32 | empty |
Interfaces
1 interface between chains.
- A–B · 870 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4KYD · Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP. · the same entry in another collection · chain A against A, 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 P0AEX9
- Every structure of UniProt P21738
- Elsewhere: RCSB PDB 4KYD · PDBe 4KYD · UniProt P0AEX9 · UniProt P21738
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