MolNFT v1 · #187398 · protein
Structure of OC43 spike in complex with polyclonal FAB7 (donor 269)
7SBY · Human polyclonal Fab model with polyalanine backbone…: “Structure of OC43 spike in complex with polyclonal FAB7 (donor 269)”. Electron microscopy, 3 ligands (8Z9, NAG, BMA), 20 pockets (best druggability 0.86). MolNFT v1 #187398 on…
- PDB
- 7SBY
- Type
- protein
- Length
- 3,738 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Human polyclonal Fab model with polyalanine backbone - heavy chain; Spike protein
- UniProt
- A0A7U1BGV5
- Ligands
- 8Z9, NAG, BMA
- Pockets
- 20 · best druggability 0.86
Structure
electron microscopy · 5 distinct chains · 21% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Human polyclonal Fab model with polyalanine backbone - heavy chain | protein | 122 | 7% helix, 44% strand | — |
| L | Human polyclonal Fab model with polyalanine backbone - heavy chain | protein | 100 | 3% helix, 47% strand | — |
| J | Spike protein | protein | 1171 | 22% helix, 34% strand | A0A7U1BGV5 |
| A | Spike protein | protein | 1176 | 22% helix, 34% strand | A0A7U1BGV5 |
| B | Spike protein | protein | 1169 | 23% helix, 33% strand | A0A7U1BGV5 |
Ligands and binding sites
- 8Z9 · Sapienic acid · ligand · 3 copies · chains J, A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 55 copies · chains J, A, H, L, B
- BMA · beta-D-mannopyranose · sugar · 2 copies
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 977 | 0.86 | 0.87 | 118 | empty |
| 2 | 1132 | 0.84 | 0.85 | 116 | empty |
| 3 | 818 | 0.83 | 0.86 | 85 | empty |
| 4 | 176 | 0.83 | 0.97 | 27 | 8Z9 |
| 5 | 191 | 0.83 | 0.96 | 29 | 8Z9 |
Interfaces
8 interfaces between chains.
- J–A · 5950 Ų buried · 64 hydrogen bonds · protein-protein
- J–B · 5901 Ų buried · 70 hydrogen bonds · protein-protein
- A–B · 5887 Ų buried · 65 hydrogen bonds · protein-protein
- H–B · 343 Ų buried · 2 hydrogen bonds · protein-protein
- H–L · 269 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 63 disulfide, 40 glycan (disulfide, N-glycosylation).
Compared structures
- 7SBY · Structure of OC43 spike in complex with polyclonal Fab7 (Donor 269) · the same entry in another collection · chain B against B, 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 A0A7U1BGV5
- Elsewhere: RCSB PDB 7SBY · PDBe 7SBY · UniProt A0A7U1BGV5
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