MolNFT v1 · #106661 · protein
Ultra-high resolution crystal structure of caprine beta-lactoglobulin
4TLJ: “Ultra-high resolution crystal structure of caprine beta-lactoglobulin”. X-ray diffraction, 3 pockets (best druggability 0.55). MolNFT v1 #106661 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4TLJ
- Type
- protein
- Length
- 324 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactoglobulin
- UniProt
- P02756
- Pockets
- 3 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 18% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-lactoglobulin | protein | 162 | 18% helix, 43% strand | P02756 |
Ligands and binding sites
- BU1 · 1,4-butanediol · additive · chains A
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 | 345 | 0.55 | 0.75 | 34 | empty |
| 2 | 111 | 0.48 | 0.79 | 20 | BU1 |
| 3 | 52 | 0.27 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 519 Ų buried · 10 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 P02756
- Elsewhere: RCSB PDB 4TLJ · PDBe 4TLJ · UniProt P02756
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