MolNFT v1 · #183781 · protein
Crystal structure of the anti-pas Fab 2.2 in complex with its epitope peptide
7O2Z · Anti-pas Fab 2.2 chimeric light chain: “Crystal structure of the anti-pas Fab 2.2 in complex with its epitope peptide”. X-ray diffraction, 2 ligands (ACE, CL), 2 pockets (best druggability 0.66). MolNFT v1 #183781 on GenesisL1: 3D…
- PDB
- 7O2Z
- Type
- protein
- Length
- 446 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anti-pas Fab 2.2 chimeric light chain; Anti-pas Fab 2.2 chimeric heavy chain; P/A#1…
- Ligands
- ACE, CL
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Anti-pas Fab 2.2 chimeric light chain | protein | 219 | 6% helix, 51% strand | — |
| H | Anti-pas Fab 2.2 chimeric heavy chain | protein | 219 | 7% helix, 53% strand | — |
| P | P/A#1 epitope peptide | protein | 8 | 0% helix, 0% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 768 | 0.66 | 0.75 | 66 | CL |
| 2 | 243 | 0.55 | 0.77 | 37 | empty |
Interfaces
3 interfaces between chains.
- L–H · 1847 Ų buried · 16 hydrogen bonds · protein-protein
- H–P · 257 Ų buried · 6 hydrogen bonds · protein-protein
- L–P · 251 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 5 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 7O2Z · Crystal structure of the anti-PAS Fab 2.2 in complex with its epitope peptide · 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 7O2Z · PDBe 7O2Z
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