MolNFT v1 · #113724 · protein
Electron cryo-microscopy of chikungunya virus in complex with neutralizing antibody Fab CHK265
5ANY · E1: “Electron cryo-microscopy of chikungunya virus in complex with neutralizing antibody Fab CHK265”. Electron microscopy, 20 pockets (best druggability 0.70). MolNFT v1 #113724 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5ANY
- Type
- protein
- Length
- 4,628 residues
- Chains
- 16
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- E1; E2; Fab CHK265; Fab
- UniProt
- Q1H8W5
- Pockets
- 20 · best druggability 0.70
Structure
electron microscopy · 4 distinct chains · 4% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G | E1 | protein | 392 | 4% helix, 47% strand | Q1H8W5 |
| B, D, F, H | E2 | protein | 336 | 2% helix, 50% strand | Q1H8W5 |
| I, J, K, L | Fab CHK265 | protein | 218 | 8% helix, 55% strand | — |
| M, N, O, P | Fab | protein | 211 | 4% helix, 56% strand | — |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 809 | 0.70 | 0.76 | 78 | empty |
| 2 | 608 | 0.65 | 0.75 | 74 | empty |
| 3 | 276 | 0.61 | 0.79 | 37 | empty |
| 4 | 250 | 0.59 | 0.79 | 37 | empty |
| 5 | 518 | 0.58 | 0.73 | 62 | empty |
Interfaces
29 interfaces between chains.
- E–F · 2522 Ų buried · 57 hydrogen bonds · protein-protein
- G–H · 2522 Ų buried · 57 hydrogen bonds · protein-protein
- C–D · 2522 Ų buried · 57 hydrogen bonds · protein-protein
- A–B · 2513 Ų buried · 57 hydrogen bonds · protein-protein
- I–M · 1865 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 72 disulfide, 7 isopeptide (disulfide, isopeptide).
Compared structures
- 5ANY · Electron cryo-microscopy of chikungunya virus in complex with neutralizing antibody Fab… · 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 Q1H8W5
- Elsewhere: RCSB PDB 5ANY · PDBe 5ANY · UniProt Q1H8W5
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