MolNFT v1 · #100624 · protein
Structure of langerin crd with alpha-me-glcnac.
4N32 · C-type lectin domain family 4 member K: “Structure of langerin crd with alpha-me-glcnac.”. X-ray diffraction, 2 ligands (2F8, CA), 8 pockets (best druggability 0.78). MolNFT v1 #100624 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4N32
- Type
- protein
- Length
- 513 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- C-type lectin domain family 4 member K
- UniProt
- Q9UJ71
- Ligands
- 2F8, CA
- Pockets
- 8 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 24% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | C-type lectin domain family 4 member K | protein | 128 | 24% helix, 31% strand | Q9UJ71 |
| C | C-type lectin domain family 4 member K | protein | 129 | 24% helix, 32% strand | Q9UJ71 |
| D | C-type lectin domain family 4 member K | protein | 128 | 24% helix, 31% strand | Q9UJ71 |
Ligands and binding sites
- 2F8 · methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside · ligand · 4 copies · chains A, B, C, D
- CA · Calcium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 496 | 0.78 | 0.85 | 66 | empty |
| 2 | 451 | 0.77 | 0.86 | 64 | empty |
| 3 | 176 | 0.55 | 0.80 | 27 | empty |
| 4 | 172 | 0.55 | 0.80 | 26 | empty |
| 5 | 74 | 0.34 | 0.76 | 15 | empty |
Interfaces
4 interfaces between chains.
- B–D · 703 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 701 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 656 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 580 Ų buried · 6 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 Q9UJ71
- Elsewhere: RCSB PDB 4N32 · PDBe 4N32 · UniProt Q9UJ71
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