MolNFT v1 · #6645 · protein
Lyme disease antigen ospa in complex with neutralizing antibody Fab la-2
1FJ1 · Hybridoma antibody LA2 (light chain): “Lyme disease antigen ospa in complex with neutralizing antibody Fab la-2”. X-ray diffraction, 17 pockets (best druggability 0.81). MolNFT v1 #6645 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1FJ1
- Type
- protein
- Length
- 1,354 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hybridoma antibody LA2 (light chain); Hybridoma antibody LA2 (heavy chain); Outer surface…
- UniProt
- P14013
- Pockets
- 17 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hybridoma antibody LA2 (light chain) | protein | 213 | 7% helix, 52% strand | — |
| B, D | Hybridoma antibody LA2 (heavy chain) | protein | 213 | 7% helix, 53% strand | — |
| E, F | Outer surface protein a | protein | 251 | 3% helix, 45% strand | P14013 |
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 689 | 0.81 | 0.86 | 109 | empty |
| 2 | 419 | 0.67 | 0.80 | 38 | empty |
| 3 | 482 | 0.65 | 0.77 | 32 | empty |
| 4 | 167 | 0.56 | 0.81 | 22 | empty |
| 5 | 118 | 0.55 | 0.83 | 26 | empty |
Interfaces
12 interfaces between chains.
- A–B · 1848 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 1809 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 1056 Ų buried · 9 hydrogen bonds · protein-protein
- C–E · 499 Ų buried · 5 hydrogen bonds · protein-protein
- A–F · 482 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 1FJ1 · Lyme disease antigen ospa in complex with neutralizing antibody Fab la-2 · the same entry in another collection · chain D against D, 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 P14013
- Elsewhere: RCSB PDB 1FJ1 · PDBe 1FJ1 · UniProt P14013
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