MolNFT v2 · #21966 · protein
X-Ray Crystal Structure Protein SP1951 of Streptococcus pneumoniae. Northeast Structural Genomics Consortium Target SpR27.
1SQS · conserved hypothetical protein: “X-Ray Crystal Structure Protein SP1951 of Streptococcus pneumoniae. Northeast Structural Genomics Consortium…”. X-ray diffraction at 1.5, 4 pockets (best druggability 0.81). MolNFT v2 #21966 on…
- PDB
- 1SQS
- Type
- protein
- Length
- 464 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.5
- Source
- Streptococcus pneumoniae
- Molecule
- conserved hypothetical protein
- UniProt
- Q97NR6
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · resolution 1.5 · 1 distinct chain · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | conserved hypothetical protein | protein | 232 | 47% helix, 16% strand | Q97NR6 |
Ligands and binding sites
- TLA · L(+)-tartaric acid · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1002 | 0.81 | 0.82 | 116 | TLA |
| 2 | 116 | 0.48 | 0.80 | 24 | empty |
| 3 | 56 | 0.38 | 0.80 | 18 | empty |
| 4 | 51 | 0.27 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1359 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 1SQS · X-ray crystal structure protein SP1951 of streptococcus pneumoniae. northeast structural… · 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 Q97NR6
- Elsewhere: RCSB PDB 1SQS · PDBe 1SQS · UniProt Q97NR6
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