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Crystal structure of human Fab PGT144, a broadly reactive and potent HIV-1 neutralizing antibody
Analyse Crystal structure of human Fab PGT144, 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
- 5UY3
- Type
- protein
- Length
- 892 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antibody PGT144 Fab light chain; Antibody PGT144 Fab heavy chain
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L, B | Antibody PGT144 Fab light chain | protein | 216 | 5% helix, 47% strand | — |
| H, A | Antibody PGT144 Fab heavy chain | protein | 230 | 8% helix, 54% strand | — |
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 734 | 0.71 | 0.78 | 74 | empty |
| 2 | 500 | 0.65 | 0.77 | 47 | empty |
| 3 | 365 | 0.56 | 0.74 | 50 | empty |
| 4 | 129 | 0.42 | 0.76 | 23 | empty |
| 5 | 116 | 0.37 | 0.74 | 24 | empty |
Interfaces
6 interfaces between chains.
- B–A · 1948 Ų buried · 17 hydrogen bonds · protein-protein
- L–H · 1948 Ų buried · 17 hydrogen bonds · protein-protein
- H–A · 327 Ų buried · 3 hydrogen bonds · protein-protein
- H–B · 224 Ų buried · 3 hydrogen bonds · protein-protein
- L–A · 159 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide, 2 modified (disulfide, sulfation).
Compared structures
- 5UY3 · Crystal structure of human Fab PGT144, 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 5UY3 · PDBe 5UY3
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