MolNFT v1 · #101878 · protein
Crystal structure of the qaa variant of anti-hinge rabbit antibody 2095-2 in complex with ides hinge peptide
4O51 · Qaa-2095-2 light chain: “Crystal structure of the qaa variant of anti-hinge rabbit antibody 2095-2 in complex with ides hinge peptide”. X-ray diffraction, 15 pockets (best druggability 0.80). MolNFT v1 #101878 on GenesisL1: 3D…
- PDB
- 4O51
- Type
- protein
- Length
- 1,740 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Qaa-2095-2 light chain; Qaa-2095-2 heavy chain; Ides hinge peptide
- Pockets
- 15 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L, A, C, E | Qaa-2095-2 light chain | protein | 215 | 7% helix, 51% strand | — |
| H, B, D, F | Qaa-2095-2 heavy chain | protein | 214 | 4% helix, 49% strand | — |
| M, N, O, P | Ides hinge peptide | protein | 6 | 0% helix, 0% strand | — |
Pockets
15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 820 | 0.80 | 0.84 | 84 | empty |
| 2 | 1059 | 0.69 | 0.74 | 94 | empty |
| 3 | 546 | 0.65 | 0.76 | 59 | empty |
| 4 | 583 | 0.63 | 0.75 | 56 | empty |
| 5 | 199 | 0.62 | 0.83 | 38 | empty |
Interfaces
20 interfaces between chains.
- E–F · 1802 Ų buried · 17 hydrogen bonds · protein-protein
- L–H · 1794 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 1776 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1773 Ų buried · 16 hydrogen bonds · protein-protein
- D–O · 373 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide, 8 modified (disulfide, cyclization).
Compared structures
- 4O51 · Crystal structure of the QAA variant of anti-hinge rabbit antibody 2095-2 in complex with… · 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 4O51 · PDBe 4O51
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