MolNFT v1 · #145383 · protein
Crystal structure of the hendra virus attachment G glycoprotein bound to a potent cross-reactive neutralizing human monoclonal antibody M102.3
6CMG · Glycoprotein G: “Crystal structure of the hendra virus attachment G glycoprotein bound to a potent cross-reactive neutralizing…”. X-ray diffraction, 4 ligands (NAG, FUC, BMA), 7 pockets (best druggability 0.77). MolNFT v1 #145383 on…
- PDB
- 6CMG
- Type
- protein
- Length
- 860 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycoprotein G; M102.3 light chain; IgG heavy chain
- UniProt
- O89343
- Ligands
- NAG, FUC, BMA, MAN
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 3% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycoprotein G | protein | 428 | 2% helix, 47% strand | O89343 |
| B | M102.3 light chain | protein | 206 | 3% helix, 50% strand | — |
| C | IgG heavy chain | protein | 226 | 4% helix, 54% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains A
- FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A
- BMA · beta-D-mannopyranose · sugar
- MAN · alpha-D-mannopyranose · sugar
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 318 | 0.77 | 0.88 | 43 | empty |
| 2 | 402 | 0.61 | 0.76 | 42 | empty |
| 3 | 161 | 0.59 | 0.82 | 25 | empty |
| 4 | 65 | 0.54 | 0.88 | 24 | empty |
| 5 | 248 | 0.50 | 0.75 | 44 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1633 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 909 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 92 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 disulfide, 5 glycan (disulfide, N-glycosylation).
Compared structures
- 6CMG · Crystal Structure of the Hendra Virus Attachment G Glycoprotein Bound to a Potent… · 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 O89343
- Elsewhere: RCSB PDB 6CMG · PDBe 6CMG · UniProt O89343
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