MolNFT v1 · #181419 · protein
Crystal structure of Fab adi-14442
7LUD · Adi-14442 Fab heavy chain: “Crystal structure of Fab adi-14442”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.79). MolNFT v1 #181419 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7LUD
- Type
- protein
- Length
- 881 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adi-14442 Fab heavy chain; Adi-14442 Fab light chain
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H, A | Adi-14442 Fab heavy chain | protein | 223 | 7% helix, 52% strand | — |
| L | Adi-14442 Fab light chain | protein | 219 | 7% helix, 52% strand | — |
| B | Adi-14442 Fab light chain | protein | 216 | 7% helix, 50% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains L, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 913 | 0.79 | 0.82 | 84 | empty |
| 2 | 1114 | 0.70 | 0.74 | 111 | empty |
| 3 | 235 | 0.68 | 0.85 | 40 | empty |
| 4 | 434 | 0.62 | 0.77 | 56 | empty |
| 5 | 325 | 0.53 | 0.74 | 34 | empty |
Interfaces
6 interfaces between chains.
- H–L · 1933 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1933 Ų buried · 15 hydrogen bonds · protein-protein
- H–A · 619 Ų buried · 4 hydrogen bonds · protein-protein
- L–A · 564 Ų buried · 7 hydrogen bonds · protein-protein
- H–B · 69 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 7LUD · Crystal structure of Fab ADI-14442 · the same entry in another collection · chain L against L, 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 7LUD · PDBe 7LUD
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