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Crystal structure of human Fab PGT145, a broadly reactive and potent HIV-1 neutralizing antibody
Analyse Crystal structure of human Fab PGT145, a broadly reactive and potent HIV-1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3U1S
- Type
- protein
- Length
- 457 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fab PGT145 light chain; Fab PGT145 heavy chain
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Fab PGT145 light chain | protein | 217 | 6% helix, 52% strand | — |
| H | Fab PGT145 heavy chain | protein | 240 | 12% helix, 53% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 423 | 0.60 | 0.76 | 52 | empty |
| 2 | 63 | 0.51 | 0.86 | 22 | empty |
| 3 | 118 | 0.37 | 0.74 | 22 | empty |
| 4 | 80 | 0.31 | 0.73 | 18 | empty |
Interfaces
1 interface between chains.
- L–H · 1962 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 2 modified (disulfide, sulfation).
Compared structures
- 3U1S · Crystal structure of human Fab PGT145, a broadly reactive and potent HIV-1 neutralizing… · the same entry in another collection · chain L against L, 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 3U1S · PDBe 3U1S
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