MolNFT v1 · #66411 · protein
Crystal structure of maltose-binding protein mutant with bound sucrose
3HPI · Maltose-binding periplasmic protein: “Crystal structure of maltose-binding protein mutant with bound sucrose”. X-ray diffraction, 3 ligands (GLC, FRU, ZN), 6 pockets (best druggability 0.83). MolNFT v1 #66411 on GenesisL1: 3D…
- PDB
- 3HPI
- Type
- protein
- Length
- 738 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltose-binding periplasmic protein
- UniProt
- P0AEX9
- Ligands
- GLC, FRU, ZN
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Maltose-binding periplasmic protein | protein | 369 | 45% helix, 21% strand | P0AEX9 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
- FRU · beta-D-fructofuranose · sugar · 2 copies · chains A, B
- ZN · Zinc ion · metal · 6 copies · chains A, B
- ACT · Acetate ion · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1062 | 0.83 | 0.84 | 108 | GLC, FRU, ZN |
| 2 | 254 | 0.69 | 0.85 | 33 | empty |
| 3 | 67 | 0.39 | 0.79 | 20 | empty |
| 4 | 75 | 0.33 | 0.74 | 19 | empty |
| 5 | 52 | 0.29 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 820 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3HPI · Crystal structure of maltose-binding protein mutant with bound sucrose · 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
- Elsewhere: RCSB PDB 3HPI · PDBe 3HPI · UniProt P0AEX9
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