MolNFT v1 · #75132 · protein
Bovine beta lactoglobulin crytsallized through ligandation of yttrium
3PH6 · Beta-lactoglobulin: “Bovine beta lactoglobulin crytsallized through ligandation of yttrium”. X-ray diffraction, 2 ligands (YT3, CL), 2 pockets (best druggability 0.61). MolNFT v1 #75132 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3PH6
- Type
- protein
- Length
- 317 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactoglobulin
- UniProt
- P02754
- Ligands
- YT3, CL
- Pockets
- 2 · 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 | protein | 161 | 16% helix, 42% strand | P02754 |
| B | Beta-lactoglobulin | protein | 156 | 17% helix, 44% strand | P02754 |
Ligands and binding sites
- YT3 · Yttrium (III) ion · metal · 4 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 399 | 0.61 | 0.77 | 37 | empty |
| 2 | 53 | 0.30 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 505 Ų buried · 6 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 P02754
- Elsewhere: RCSB PDB 3PH6 · PDBe 3PH6 · UniProt P02754
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