MolNFT v1 · #23796 · protein
Crystal structure of antibody 19G2 with hapten at 100K
1UB5 · Antibody 19G2, alpha chain: “Crystal structure of antibody 19G2 with hapten at 100K”. X-ray diffraction, 1 ligand (SPB), 11 pockets (best druggability 0.76). MolNFT v1 #23796 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1UB5
- Type
- protein
- Length
- 846 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antibody 19G2, alpha chain; Antibody 19G2, beta chain
- UniProt
- P18527
- Ligands
- SPB
- Pockets
- 11 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H, A | Antibody 19G2, alpha chain | protein | 209 | 6% helix, 50% strand | P18527 |
| L, B | Antibody 19G2, beta chain | protein | 214 | 6% helix, 48% strand | — |
Ligands and binding sites
- SPB · 4-(4-styryl-phenylcarbamoyl)-butyric acid · ligand · 2 copies · chains H, L, A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 138 | 0.76 | 0.93 | 24 | SPB |
| 2 | 155 | 0.75 | 0.92 | 26 | SPB |
| 3 | 631 | 0.64 | 0.75 | 55 | empty |
| 4 | 280 | 0.52 | 0.74 | 37 | empty |
| 5 | 113 | 0.48 | 0.79 | 23 | empty |
Interfaces
2 interfaces between chains.
- H–L · 1767 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1722 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
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 P18527
- Elsewhere: RCSB PDB 1UB5 · PDBe 1UB5 · UniProt P18527
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