MolNFT v1 · #19518 · protein
Phosphorylated aspartate in the crystal structure of the sporulation response regulator, SPO0A
1QMP · Stage 0 sporulation protein a: “Phosphorylated aspartate in the crystal structure of the sporulation response regulator, SPO0A”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.44). MolNFT v1 #19518 on GenesisL1: 3D…
- PDB
- 1QMP
- Type
- protein
- Length
- 498 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Stage 0 sporulation protein a
- UniProt
- P52934
- Ligands
- CA
- Pockets
- 3 · best druggability 0.44
Structure
x-ray diffraction · 3 distinct chains · 42% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Stage 0 sporulation protein a | protein | 126 | 43% helix, 22% strand | P52934 |
| B | Stage 0 sporulation protein a | protein | 121 | 43% helix, 23% strand | P52934 |
| D | Stage 0 sporulation protein a | protein | 125 | 42% helix, 22% strand | P52934 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A, B, C, D
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 | 152 | 0.44 | 0.75 | 24 | empty |
| 2 | 169 | 0.42 | 0.74 | 28 | CA |
| 3 | 52 | 0.29 | 0.75 | 12 | empty |
Interfaces
3 interfaces between chains.
- B–D · 258 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 227 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 16 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (phosphorylation).
Compared structures
- 1QMP · Phosphorylated aspartate in the crystal structure of the sporulation response regulator… · the same entry in another collection · chain A against A, TM-score 1.00
- P52934 · AlphaFold monomer V2.0 prediction for stage 0 sporulation protein a (P52934) · a predicted model of the same protein · chain A 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 P52934
- Elsewhere: RCSB PDB 1QMP · PDBe 1QMP · UniProt P52934
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