MolNFT v1 · #136587 · protein
Structure of anti-HIV trimer apex antibody PGT143
5UXQ · PGT143 Fab heavy chain: “Structure of anti-HIV trimer apex antibody PGT143”. X-ray diffraction, 7 pockets (best druggability 0.72). MolNFT v1 #136587 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5UXQ
- Type
- protein
- Length
- 899 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PGT143 Fab heavy chain; PGT143 Fab light chain
- Pockets
- 7 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PGT143 Fab heavy chain | protein | 234 | 5% helix, 57% strand | — |
| B | PGT143 Fab light chain | protein | 217 | 6% helix, 49% strand | — |
| H | PGT143 Fab heavy chain | protein | 239 | 8% helix, 54% strand | — |
| L | PGT143 Fab light chain | protein | 209 | 6% helix, 48% strand | — |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 755 | 0.72 | 0.78 | 75 | empty |
| 2 | 808 | 0.68 | 0.75 | 66 | empty |
| 3 | 697 | 0.65 | 0.75 | 68 | empty |
| 4 | 104 | 0.35 | 0.74 | 19 | empty |
| 5 | 61 | 0.31 | 0.75 | 15 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2192 Ų buried · 14 hydrogen bonds · protein-protein
- H–L · 2118 Ų buried · 14 hydrogen bonds · protein-protein
- A–H · 391 Ų buried · 2 hydrogen bonds · protein-protein
- B–L · 317 Ų buried · 12 hydrogen bonds · protein-protein
- B–H · 153 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 5UXQ · Structure of anti-HIV trimer apex antibody PGT143 · 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
- Elsewhere: RCSB PDB 5UXQ · PDBe 5UXQ
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