MolNFT v1 · #173168 · protein
Co-crystal structure of variant surface glycoprotein VSG2 in complex with nanobody VSG2(NB11)
7AQY · Variant surface glycoprotein mitat 1.2: “Co-crystal structure of variant surface glycoprotein VSG2 in complex with nanobody VSG2(NB11)”. X-ray diffraction, 2 ligands (NAG, BMA), 16 pockets (best druggability 0.82). MolNFT v1 #173168…
- PDB
- 7AQY
- Type
- protein
- Length
- 961 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Variant surface glycoprotein mitat 1.2; Nanobody VSG2(NB11)
- UniProt
- P26332
- Ligands
- NAG, BMA
- Pockets
- 16 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Variant surface glycoprotein mitat 1.2 | protein | 354 | 51% helix, 9% strand | P26332 |
| D | Nanobody VSG2(NB11) | protein | 127 | 14% helix, 50% strand | — |
| B | Variant surface glycoprotein mitat 1.2 | protein | 356 | 51% helix, 8% strand | P26332 |
| C | Nanobody VSG2(NB11) | protein | 124 | 15% helix, 48% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 149 | 0.82 | 0.98 | 26 | empty |
| 2 | 153 | 0.58 | 0.83 | 28 | empty |
| 3 | 201 | 0.45 | 0.74 | 33 | empty |
| 4 | 145 | 0.44 | 0.76 | 28 | empty |
| 5 | 118 | 0.44 | 0.77 | 23 | empty |
Interfaces
5 interfaces between chains.
- A–B · 4097 Ų buried · 59 hydrogen bonds · protein-protein
- A–D · 923 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 815 Ų buried · 9 hydrogen bonds · protein-protein
- D–B · 78 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 75 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 7AQY · Co-Crystal Structure of Variant Surface Glycoprotein VSG2 in complex with Nanobody… · the same entry in another collection · chain A against A, TM-score 1.00
- P26332 · AlphaFold monomer V2.0 prediction for variant surface glycoprotein mitat 1.2 (P26332) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P26332
- Elsewhere: RCSB PDB 7AQY · PDBe 7AQY · UniProt P26332
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