MolNFT v1 · #186058 · protein
Junin virus GP1 glycoprotein in complex with Fab fragment of antibody JUN1
7QU2 · Fab JUN1 heavy chain: “Junin virus GP1 glycoprotein in complex with Fab fragment of antibody JUN1”. X-ray diffraction, 1 ligand (NAG), 9 pockets (best druggability 0.56). MolNFT v1 #186058 on GenesisL1: 3D structure, binding sites…
- PDB
- 7QU2
- Type
- protein
- Length
- 586 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fab JUN1 heavy chain; Fab JUN1 light chain; Glycoprotein G1
- UniProt
- C1K9J9
- Ligands
- NAG
- Pockets
- 9 · best druggability 0.56
Structure
x-ray diffraction · 3 distinct chains · 11% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fab JUN1 heavy chain | protein | 230 | 5% helix, 48% strand | — |
| B | Fab JUN1 light chain | protein | 214 | 7% helix, 50% strand | — |
| C | Glycoprotein G1 | protein | 142 | 26% helix, 25% strand | C1K9J9 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains C
- GOL · Glycerol · additive · 2 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 173 | 0.56 | 0.80 | 23 | empty |
| 2 | 159 | 0.53 | 0.80 | 26 | empty |
| 3 | 189 | 0.47 | 0.75 | 23 | empty |
| 4 | 90 | 0.46 | 0.81 | 28 | GOL |
| 5 | 112 | 0.41 | 0.76 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1978 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 484 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 445 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 7QU2 · Junin virus GP1 glycoprotein in complex with Fab fragment of antibody JUN1 · 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 C1K9J9
- Elsewhere: RCSB PDB 7QU2 · PDBe 7QU2 · UniProt C1K9J9
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