MolNFT v1 · #66351 · protein
Cs-35 Fab complex with oligoarabinofuranosyl hexasaccharide
3HNS · Cs-35 Fab heavy chain: “Cs-35 Fab complex with oligoarabinofuranosyl hexasaccharide”. X-ray diffraction, 3 ligands (BXX, AXR, BXY), 4 pockets (best druggability 0.58). MolNFT v1 #66351 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3HNS
- Type
- protein
- Length
- 434 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cs-35 Fab heavy chain; Cs-35 Fab light chain
- Ligands
- BXX, AXR, BXY
- Pockets
- 4 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Cs-35 Fab heavy chain | protein | 220 | 8% helix, 51% strand | — |
| L | Cs-35 Fab light chain | protein | 214 | 6% helix, 51% strand | — |
Ligands and binding sites
- BXX · beta-D-arabinofuranose · ligand · 2 copies · chains H, L
- AXR · methyl alpha-D-arabinofuranoside · ligand · chains H, L
- BXY · alpha-D-arabinofuranose · sugar · 3 copies · chains H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 463 | 0.58 | 0.74 | 59 | empty |
| 2 | 305 | 0.57 | 0.77 | 46 | empty |
| 3 | 88 | 0.48 | 0.82 | 20 | empty |
| 4 | 106 | 0.36 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- H–L · 1848 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3HNS · CS-35 Fab Complex with Oligoarabinofuranosyl Hexasaccharide · 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 3HNS · PDBe 3HNS
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