Research workbench
Crystal structure of the HIV-1 cross neutralizing monoclonal antibody 2F5 in complex with GP41 peptide eldkwan
Analyse Crystal structure of the HIV-1 cross neutralizing monoclonal antibody 2F5 in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1U8I
- Type
- protein
- Length
- 448 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antibody 2F5 (light chain); Antibody 2F5 (heavy chain); GP41 peptide
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Antibody 2F5 (light chain) | protein | 214 | 6% helix, 51% strand | — |
| B | Antibody 2F5 (heavy chain) | protein | 227 | 8% helix, 51% strand | — |
| C | GP41 peptide | protein | 7 | 0% helix, 14% strand | — |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 458 | 0.60 | 0.75 | 55 | empty |
| 2 | 124 | 0.39 | 0.74 | 22 | empty |
| 3 | 66 | 0.29 | 0.73 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1818 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 379 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 247 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1U8I · Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with… · 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 1U8I · PDBe 1U8I
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