Research workbench
Crystal structure (G) of native cationic cyclization antibody 4C6 Fab at pH 8.5 with a data set collected at aps beamline 19-id
Analyse Crystal structure (G) of native cationic cyclization antibody 4C6 Fab at pH 8.5… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1RUP
- Type
- protein
- Length
- 441 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Immunoglobulin IGG2A, heavy chain; Immunoglobulin IGG2A, light chain
- UniProt
- Q8K0F8, P01865
- Ligands
- BEZ
- Pockets
- 6 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Immunoglobulin IGG2A, heavy chain | protein | 219 | 6% helix, 54% strand | Q8K0F8 |
| H | Immunoglobulin IGG2A, light chain | protein | 222 | 8% helix, 52% strand | P01865 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 133 | 0.66 | 0.88 | 26 | BEZ |
| 2 | 347 | 0.55 | 0.74 | 46 | empty |
| 3 | 73 | 0.54 | 0.87 | 22 | GOL |
| 4 | 144 | 0.42 | 0.75 | 25 | empty |
| 5 | 87 | 0.35 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- L–H · 2100 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 1RUP · Crystal structure (G) of native cationic cyclization antibody 4C6 fab at pH 8.5 with a… · the same entry in another collection · chain L against L, TM-score 1.00
- P01865 · AlphaFold monomer V2.0 prediction for ig gamma-2A chain C region, membrane-bound form… · a predicted model of the same protein · chain H against A, TM-score 0.50
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 Q8K0F8
- Every structure of UniProt P01865
- Elsewhere: RCSB PDB 1RUP · PDBe 1RUP · UniProt Q8K0F8 · UniProt P01865
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