Research workbench
Structure of sybody MR17-SR31 fusion in complex with the SARS-cov-2 S receptor binding domain (rbd)
Analyse Structure of sybody MR17-SR31 fusion in complex with the SARS-cov-2 S receptor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7D30
- Type
- protein
- Length
- 435 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sybody fusion of MR17-SR31 with a gs linker; Spike protein S1
- UniProt
- P0DTC2
- Ligands
- NAG, FUC, BMA, MAN, CD
- Pockets
- 1 · best druggability 0.28
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sybody fusion of MR17-SR31 with a gs linker | protein | 234 | 6% helix, 50% strand | — |
| B | Spike protein S1 | protein | 201 | 16% helix, 29% strand | P0DTC2 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains B
- FUC · alpha-L-fucopyranose · sugar · 2 copies · chains B
- BMA · beta-D-mannopyranose · sugar · chains A
- MAN · alpha-D-mannopyranose · sugar
- CD · Cadmium ion · metal · 17 copies · chains A, B
- ACT · Acetate ion · additive · 14 copies · chains A, B
- GOL · Glycerol · additive · 5 copies · chains A, B
- BU2 · 1,3-butanediol · additive · 5 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · 2 copies · chains A, 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 52 | 0.28 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 2410 Ų buried · 32 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 7D30 · Structure of sybody MR17-SR31 fusion in complex with the SARS-CoV-2 S Receptor Binding… · 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 P0DTC2
- Elsewhere: RCSB PDB 7D30 · PDBe 7D30 · UniProt P0DTC2
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