MolNFT v1 · #145209 · protein
Crystal structure of a natively-glycosylated BG505 SOSIP.664 HIV-1 envelope trimer in complex with the broadly-neutralizing antibodies BG18 and ioma
6CHB · Envelope glycoprotein GP41: “Crystal structure of a natively-glycosylated BG505 SOSIP.664 HIV-1 envelope trimer in complex with the…”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #145209 on GenesisL1: 3D…
- PDB
- 6CHB
- Type
- protein
- Length
- 3,722 residues
- Chains
- 18
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Envelope glycoprotein GP41; Envelope glycoprotein GP120; BG18 heavy chain; BG18 light…
- UniProt
- Q2N0S7, Q2N0S6
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 7 distinct chains · 9% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A, C | Envelope glycoprotein GP41 | protein | 126 | 36% helix, 4% strand | Q2N0S7 |
| G, F, H | Envelope glycoprotein GP120 | protein | 450 | 11% helix, 34% strand | Q2N0S6 |
| J, I, Q | BG18 heavy chain | protein | 227 | 3% helix, 49% strand | — |
| K, L, R | BG18 light chain | protein | 205 | 3% helix, 44% strand | — |
| D, M, O | Ioma heavy chain | protein | 125 | 2% helix, 37% strand | — |
| E, P | Ioma light chain | protein | 107 | 3% helix, 42% strand | — |
| N | Ioma light chain | protein | 109 | 7% helix, 39% 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 | 699 | 0.84 | 0.88 | 74 | empty |
| 2 | 557 | 0.84 | 0.89 | 68 | empty |
| 3 | 529 | 0.81 | 0.87 | 74 | empty |
| 4 | 128 | 0.81 | 0.98 | 21 | empty |
| 5 | 165 | 0.80 | 0.95 | 40 | empty |
Interfaces
31 interfaces between chains.
- A–F · 2579 Ų buried · 22 hydrogen bonds · protein-protein
- B–G · 2494 Ų buried · 21 hydrogen bonds · protein-protein
- C–H · 2314 Ų buried · 20 hydrogen bonds · protein-protein
- I–L · 1973 Ų buried · 17 hydrogen bonds · protein-protein
- J–K · 1887 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 35 disulfide (disulfide).
Compared structures
- 6CHB · Crystal structure of a natively-glycosylated BG505 SOSIP.664 HIV-1 Envelope Trimer in… · the same entry in another collection · chain B against B, 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 Q2N0S7
- Every structure of UniProt Q2N0S6
- Elsewhere: RCSB PDB 6CHB · PDBe 6CHB · UniProt Q2N0S7 · UniProt Q2N0S6
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