MolNFT v1 · #90054 · protein
Crystal structure of receiver domain of putative narl family response regulator SPR1814 from streptococcus pneumoniae in the presence of the phosphoryl analog beryllofluoride
4E7P: “Crystal structure of receiver domain of putative narl family response regulator SPR1814 from streptococcus…”. X-ray diffraction, 2 ligands (BEF, MG), 2 pockets (best druggability 0.47). MolNFT v1 #90054 on GenesisL1: 3D structure…
- PDB
- 4E7P
- Type
- protein
- Length
- 262 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Response regulator
- UniProt
- Q8DNC2
- Ligands
- BEF, MG
- Pockets
- 2 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Response regulator | protein | 131 | 42% helix, 22% strand | Q8DNC2 |
Ligands and binding sites
- BEF · Beryllium trifluoride ion · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 168 | 0.47 | 0.76 | 27 | empty |
| 2 | 130 | 0.44 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 379 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4E7P · Crystal structure of receiver domain of putative NarL family response regulator spr1814… · 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 Q8DNC2
- Elsewhere: RCSB PDB 4E7P · PDBe 4E7P · UniProt Q8DNC2
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