Research workbench
Crystal structure of the TEPC15-VK45.1 anti-2-phenyl-5-oxazolone NQ16- 113.8 scfv in complex with phoxgaba
Analyse Crystal structure of the TEPC15-VK45.1 anti-2-phenyl-5-oxazolone NQ16- 113.8… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2CJU
- Type
- protein
- Length
- 234 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NQ16-113.8 anti-phox antibody
- Ligands
- PHX
- Pockets
- 3 · best druggability 0.39
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | NQ16-113.8 anti-phox antibody | protein | 121 | 10% helix, 52% strand | — |
| L | NQ16-113.8 anti-phox antibody | protein | 113 | 3% helix, 48% strand | — |
Ligands and binding sites
- PHX · 4-{[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]amino}butanoic acid · ligand · chains H, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 87 | 0.39 | 0.77 | 19 | PHX |
| 2 | 86 | 0.33 | 0.73 | 22 | empty |
| 3 | 54 | 0.28 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- H–L · 894 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2CJU · Crystal structure of the TEPC15-Vk45.1 anti-2-phenyl-5-oxazolone NQ16- 113.8 scFv in… · 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 2CJU · PDBe 2CJU
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