MolNFT v1 · #73594 · protein
Anti-tat HIV 11H6H1 Fab' complexed with a 9-mer tat peptide
3O6M · 11H6H1 Fab' light chain: “Anti-tat HIV 11H6H1 Fab' complexed with a 9-mer tat peptide”. X-ray diffraction, 4 pockets (best druggability 0.55). MolNFT v1 #73594 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3O6M
- Type
- protein
- Length
- 443 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 11H6H1 Fab' light chain; 11H6H1 Fab' heavy chain; Protein tat 9-mer peptide
- UniProt
- Q98XH7
- Pockets
- 4 · best druggability 0.55
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | 11H6H1 Fab' light chain | protein | 216 | 6% helix, 51% strand | — |
| H | 11H6H1 Fab' heavy chain | protein | 218 | 7% helix, 50% strand | — |
| C | Protein tat 9-mer peptide | protein | 9 | 0% helix, 0% strand | Q98XH7 |
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 | 219 | 0.55 | 0.78 | 28 | empty |
| 2 | 275 | 0.50 | 0.74 | 41 | empty |
| 3 | 96 | 0.42 | 0.78 | 26 | empty |
| 4 | 82 | 0.35 | 0.75 | 23 | empty |
Interfaces
3 interfaces between chains.
- L–H · 1867 Ų buried · 19 hydrogen bonds · protein-protein
- H–C · 439 Ų buried · 7 hydrogen bonds · protein-protein
- L–C · 287 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3O6M · Anti-Tat HIV 11H6H1 Fab' complexed with a 9-mer Tat peptide · 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
- Every structure of UniProt Q98XH7
- Elsewhere: RCSB PDB 3O6M · PDBe 3O6M · UniProt Q98XH7
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