Research workbench
Phosphate-binding protein mutant A197C labelled with a coumarin fluorophore and bound to dihydrogenphosphate ion
Analyse Phosphate-binding protein mutant A197C labelled with a coumarin fluorophore and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1A54
- Type
- protein
- Length
- 321 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphate-binding protein psts
- UniProt
- A0A4S1QQS5
- Ligands
- MDC, 2HP
- Pockets
- 3 · best druggability 0.41
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphate-binding protein psts | protein | 321 | 39% helix, 22% strand | A0A4S1QQS5 |
Ligands and binding sites
- MDC · N-[2-(1-maleimidyl)ethyl]-7-diethylaminocoumarin-3-carboxamide · ligand · chains A
- 2HP · Dihydrogenphosphate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.41 | 0.82 | 15 | empty |
| 2 | 56 | 0.39 | 0.81 | 12 | empty |
| 3 | 64 | 0.29 | 0.73 | 16 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 1A54 · Phosphate-binding protein mutant A197C labelled with a coumarin fluorophore and bound to… · 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 A0A4S1QQS5
- Elsewhere: RCSB PDB 1A54 · PDBe 1A54 · UniProt A0A4S1QQS5
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