MolNFT v1 · #188806 · protein
Genetic and structural basis for the human anti-alpha-galactosyl antibody response
7UEL · Heavy chain Fab of antibody JEC1: “Genetic and structural basis for the human anti-alpha-galactosyl antibody response”. X-ray diffraction, 2 ligands (MG, CL), 5 pockets (best druggability 0.66). MolNFT v1 #188806 on GenesisL1: 3D…
- PDB
- 7UEL
- Type
- protein
- Length
- 433 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heavy chain Fab of antibody JEC1; Light chain Fab of antibody JEC1
- Ligands
- MG, CL
- Pockets
- 5 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Heavy chain Fab of antibody JEC1 | protein | 221 | 8% helix, 52% strand | — |
| L | Light chain Fab of antibody JEC1 | protein | 212 | 6% helix, 49% strand | — |
Ligands and binding sites
- MG · Magnesium ion · metal · chains L
- CL · Chloride ion · ion · 6 copies · chains H, L
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains H, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 649 | 0.66 | 0.76 | 67 | TRS |
| 2 | 150 | 0.50 | 0.78 | 34 | CL |
| 3 | 107 | 0.41 | 0.76 | 24 | empty |
| 4 | 96 | 0.36 | 0.74 | 21 | CL |
| 5 | 51 | 0.31 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- H–L · 1904 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 7UEL · Genetic and structural basis for the human anti-alpha-galactosyl antibody response · 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 7UEL · PDBe 7UEL
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