Research workbench
Molecular mechanism of enantioselective proton transfer to carbon in catalytic antibody 14D9
Analyse Molecular mechanism of enantioselective proton transfer to carbon in catalytic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1UWE
- Type
- protein
- Length
- 1,293 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antibody 14D9
- Pockets
- 17 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H, V, Y | Antibody 14D9 | protein | 218 | 10% helix, 50% strand | — |
| L, U, X | Antibody 14D9 | protein | 213 | 6% helix, 52% strand | — |
Pockets
17 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1164 | 0.74 | 0.77 | 124 | empty |
| 2 | 371 | 0.65 | 0.79 | 58 | empty |
| 3 | 422 | 0.61 | 0.76 | 61 | empty |
| 4 | 140 | 0.59 | 0.84 | 27 | empty |
| 5 | 199 | 0.56 | 0.80 | 25 | empty |
Interfaces
8 interfaces between chains.
- U–V · 1829 Ų buried · 12 hydrogen bonds · protein-protein
- X–Y · 1827 Ų buried · 10 hydrogen bonds · protein-protein
- H–L · 1815 Ų buried · 13 hydrogen bonds · protein-protein
- L–V · 520 Ų buried · 9 hydrogen bonds · protein-protein
- H–X · 508 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 1UWE · Molecular mechanism of enantioselective proton transfer to carbon in catalytic antibody… · 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 1UWE · PDBe 1UWE
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