MolNFT v1 · #174405 · protein
Cryo-EM structure of dengue virus serotype 2 complexed with Fab sign- 3C at pH 5.0
7BUE · Sign-3C Fab heavy chain: “Cryo-EM structure of dengue virus serotype 2 complexed with Fab sign- 3C at pH 5.0”. Electron microscopy, 6 pockets (best druggability 0.47). MolNFT v1 #174405 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7BUE
- Type
- protein
- Length
- 1,899 residues
- Chains
- 9
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sign-3C Fab heavy chain; Sign-3C Fab light chain; Dengue serotype 2 E protein ectodomain
- Pockets
- 6 · best druggability 0.47
Structure
electron microscopy · 3 distinct chains · 0% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| G, H, J | Sign-3C Fab heavy chain | protein | 132 | 0% helix, 0% strand | — |
| I, L, K | Sign-3C Fab light chain | protein | 107 | 0% helix, 0% strand | — |
| B, A, C | Dengue serotype 2 E protein ectodomain | protein | 394 | 0% helix, 0% strand | — |
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 165 | 0.47 | 0.74 | 40 | empty |
| 2 | 168 | 0.45 | 0.73 | 40 | empty |
| 3 | 150 | 0.43 | 0.73 | 41 | empty |
| 4 | 126 | 0.39 | 0.72 | 34 | empty |
| 5 | 99 | 0.36 | 0.72 | 26 | empty |
Interfaces
11 interfaces between chains.
- A–C · 310 Ų buried · 0 hydrogen bonds · protein-protein
- B–A · 145 Ų buried · 0 hydrogen bonds · protein-protein
- G–B · 84 Ų buried · 0 hydrogen bonds · protein-protein
- A–H · 83 Ų buried · 0 hydrogen bonds · protein-protein
- C–J · 83 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7BUE · Cryo-EM structure of Dengue virus serotype 2 complexed with Fab SIgN-3C at pH 5.0 · the same entry in another collection · chain G against G, 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
- Elsewhere: RCSB PDB 7BUE · PDBe 7BUE
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