MolNFT v1 · #172530 · protein
Crimean-congo hemorrhagic fever virus envelope glycoprotein gc W1191H/W1197A/W1199A mutant in postfusion conformation (orthorhombic crystal form)
7A59 · Envelopment polyprotein: “Crimean-congo hemorrhagic fever virus envelope glycoprotein gc W1191H/W1197A/W1199A mutant in postfusion…”. X-ray diffraction, 6 ligands (NAG, BMA, MAN), 20 pockets (best druggability 0.85). MolNFT v1…
- PDB
- 7A59
- Type
- protein
- Length
- 1,513 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Envelopment polyprotein
- UniProt
- Q8JSZ3
- Ligands
- NAG, BMA, MAN, FUC, CL, PO4
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Envelopment polyprotein | protein | 499 | 7% helix, 49% strand | Q8JSZ3 |
| B | Envelopment polyprotein | protein | 513 | 7% helix, 49% strand | Q8JSZ3 |
| C | Envelopment polyprotein | protein | 501 | 7% helix, 48% strand | Q8JSZ3 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains B, C, A
- BMA · beta-D-mannopyranose · sugar
- MAN · alpha-D-mannopyranose · sugar
- FUC · alpha-L-fucopyranose · sugar · chains C
- CL · Chloride ion · ion · 6 copies · chains A, B, C
- PO4 · Phosphate ion · ion · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1160 | 0.85 | 0.86 | 79 | CL |
| 2 | 459 | 0.85 | 0.92 | 49 | PO4 |
| 3 | 301 | 0.80 | 0.91 | 57 | CL |
| 4 | 452 | 0.74 | 0.83 | 82 | empty |
| 5 | 176 | 0.73 | 0.91 | 33 | empty |
Interfaces
3 interfaces between chains.
- B–C · 3299 Ų buried · 33 hydrogen bonds · protein-protein
- A–C · 3243 Ų buried · 36 hydrogen bonds · protein-protein
- A–B · 3201 Ų buried · 36 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 7A59 · Crimean-Congo Hemorrhagic Fever Virus Envelope Glycoprotein Gc W1191H/W1197A/W1199A… · 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 Q8JSZ3
- Elsewhere: RCSB PDB 7A59 · PDBe 7A59 · UniProt Q8JSZ3
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