MolNFT v1 · #101251 · protein
Crystal structure of sheep beta-lactoglobulin (space group P1)
4NLJ · Beta-lactoglobulin-1/B: “Crystal structure of sheep beta-lactoglobulin (space group P1)”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.61). MolNFT v1 #101251 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4NLJ
- Type
- protein
- Length
- 320 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactoglobulin-1/B
- UniProt
- P67976
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactoglobulin-1/B | protein | 162 | 15% helix, 42% strand | P67976 |
| B | Beta-lactoglobulin-1/B | protein | 158 | 16% helix, 43% strand | P67976 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 386 | 0.61 | 0.77 | 38 | empty |
| 2 | 56 | 0.30 | 0.76 | 11 | empty |
| 3 | 50 | 0.25 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 509 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 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 P67976
- Elsewhere: RCSB PDB 4NLJ · PDBe 4NLJ · UniProt P67976
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