MolNFT v1 · #96511 · protein
Crystal structure of a designed respiratory syncytial virus immunogen in complex with motavizumab
4JLR · Motavizumab Fab heavy chain: “Crystal structure of a designed respiratory syncytial virus immunogen in complex with motavizumab”. X-ray diffraction, 8 pockets (best druggability 0.64). MolNFT v1 #96511 on GenesisL1: 3D structure…
- PDB
- 4JLR
- Type
- protein
- Length
- 1,041 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Motavizumab Fab heavy chain; Motavizumab Fab light chain; RSV_1ISEA designed scaffold
- Pockets
- 8 · best druggability 0.64
Structure
x-ray diffraction · 4 distinct chains · 31% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H, A | Motavizumab Fab heavy chain | protein | 215 | 7% helix, 53% strand | — |
| L, B | Motavizumab Fab light chain | protein | 210 | 7% helix, 54% strand | — |
| S | RSV_1ISEA designed scaffold | protein | 91 | 91% helix, 0% strand | — |
| C | RSV_1ISEA designed scaffold | protein | 100 | 78% helix, 0% strand | — |
Ligands and binding sites
- 1PE · Pentaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 693 | 0.64 | 0.74 | 71 | empty |
| 2 | 679 | 0.63 | 0.74 | 63 | empty |
| 3 | 279 | 0.52 | 0.75 | 29 | empty |
| 4 | 265 | 0.50 | 0.74 | 29 | empty |
| 5 | 75 | 0.36 | 0.76 | 20 | empty |
Interfaces
9 interfaces between chains.
- A–B · 1661 Ų buried · 17 hydrogen bonds · protein-protein
- H–L · 1651 Ų buried · 14 hydrogen bonds · protein-protein
- H–S · 515 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 468 Ų buried · 4 hydrogen bonds · protein-protein
- S–A · 263 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4JLR · Crystal structure of a designed Respiratory Syncytial Virus Immunogen in complex with… · the same entry in another collection · chain H against H, 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 4JLR · PDBe 4JLR
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