MolNFT v1 · #71770 · protein
Crystal structure of the non-neutralizing HIV antibody 13H11 Fab fragment
3MO1 · Anti-HIV-1 antibody 13H11 light chain: “Crystal structure of the non-neutralizing HIV antibody 13H11 Fab fragment”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.54). MolNFT v1 #71770 on GenesisL1: 3D structure…
- PDB
- 3MO1
- Type
- protein
- Length
- 433 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anti-HIV-1 antibody 13H11 light chain; Anti-HIV-1 antibody 13H11 heavy chain
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anti-HIV-1 antibody 13H11 light chain | protein | 218 | 6% helix, 52% strand | — |
| B | Anti-HIV-1 antibody 13H11 heavy chain | protein | 215 | 10% helix, 50% 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 315 | 0.54 | 0.74 | 50 | empty |
| 2 | 117 | 0.37 | 0.74 | 24 | empty |
| 3 | 93 | 0.34 | 0.74 | 25 | empty |
| 4 | 60 | 0.30 | 0.75 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1826 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3MO1 · Crystal structure of the non-neutralizing HIV antibody 13H11 Fab fragment · 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 3MO1 · PDBe 3MO1
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