MolNFT v1 · #105830 · protein
2.0 ångström crystal structure of superantigen-like protein from staphylococcus aureus in complex with 3-N-acetylneuraminyl-N- acetyllactosamine.
4RGT · Putative uncharacterized protein: “2.0 ångström crystal structure of superantigen-like protein from staphylococcus aureus in complex with…”. X-ray diffraction, 3 ligands (NAG, GAL, SIA), 1 pocket (best druggability 0.81). MolNFT v1…
- PDB
- 4RGT
- Type
- protein
- Length
- 382 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein
- UniProt
- Q2G1S5
- Ligands
- NAG, GAL, SIA
- Pockets
- 1 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 18% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative uncharacterized protein | protein | 191 | 18% helix, 41% strand | Q2G1S5 |
| B | Putative uncharacterized protein | protein | 191 | 19% helix, 40% strand | Q2G1S5 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
- SIA · N-acetyl-alpha-neuraminic acid · sugar · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 607 | 0.81 | 0.86 | 68 | empty |
Interfaces
1 interface between chains.
- A–B · 980 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4RGT · 2.0 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in… · 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 Q2G1S5
- Elsewhere: RCSB PDB 4RGT · PDBe 4RGT · UniProt Q2G1S5
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