MolNFT v1 · #76613 · protein
Crystal structure of Fab fragment of anti-human rsv (respiratory syncytial virus) F protein mab 101F
3QQ9 · 101F light chain: “Crystal structure of Fab fragment of anti-human rsv (respiratory syncytial virus) F protein mab 101F”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.65). MolNFT v1 #76613 on GenesisL1: 3D…
- PDB
- 3QQ9
- Type
- protein
- Length
- 862 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 101F light chain; 101F heavy chain
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L, C | 101F light chain | protein | 217 | 6% helix, 52% strand | — |
| H | 101F heavy chain | protein | 215 | 8% helix, 52% strand | — |
| D | 101F heavy chain | protein | 213 | 8% helix, 51% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains L, H, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 646 | 0.65 | 0.75 | 62 | empty |
| 2 | 381 | 0.58 | 0.76 | 46 | empty |
| 3 | 122 | 0.53 | 0.81 | 28 | SO4 |
| 4 | 54 | 0.24 | 0.72 | 12 | empty |
Interfaces
6 interfaces between chains.
- L–H · 1891 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 1854 Ų buried · 14 hydrogen bonds · protein-protein
- L–C · 299 Ų buried · 6 hydrogen bonds · protein-protein
- L–D · 297 Ų buried · 5 hydrogen bonds · protein-protein
- H–C · 293 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide, 2 modified (disulfide, cyclization).
Compared structures
- 3QQ9 · Crystal structure of FAB fragment of anti-human RSV (RESPIRATORY SYNCYTIAL VIRUS) F… · 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 3QQ9 · PDBe 3QQ9
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