Research workbench
Crystal structure analysis of anti-HIV-1 V3 Fab 2219 in complex with UG29 peptide
Analyse Crystal structure analysis of anti-HIV-1 V3 Fab 2219 in complex with UG29… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2B1H
- Type
- protein
- Length
- 457 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fab 2219, light chain; Fab 2219, heavy chain; UG29 peptide of exterior membrane…
- Pockets
- 5 · best druggability 0.46
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Fab 2219, light chain | protein | 215 | 6% helix, 50% strand | — |
| H | Fab 2219, heavy chain | protein | 226 | 6% helix, 51% strand | — |
| P | UG29 peptide of exterior membrane glycoprotein GP120 | protein | 16 | 0% helix, 13% strand | — |
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 232 | 0.46 | 0.73 | 38 | empty |
| 2 | 118 | 0.40 | 0.75 | 22 | empty |
| 3 | 71 | 0.34 | 0.75 | 20 | empty |
| 4 | 106 | 0.33 | 0.72 | 27 | empty |
| 5 | 62 | 0.26 | 0.72 | 13 | empty |
Interfaces
3 interfaces between chains.
- L–H · 1791 Ų buried · 24 hydrogen bonds · protein-protein
- H–P · 546 Ų buried · 9 hydrogen bonds · protein-protein
- L–P · 363 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 2B1H · Crystal structure analysis of anti-HIV-1 V3 Fab 2219 in complex with UG29 peptide · the same entry in another collection · chain H against H, 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 2B1H · PDBe 2B1H
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.