MolNFT v1 · #2311 · protein
12-bromododecanoic acid binds inside the calyx of bovine beta-lactoglobulin
1BSO · Protein (bovine beta-lactoglobulin a): “12-bromododecanoic acid binds inside the calyx of bovine beta-lactoglobulin”. X-ray diffraction, 1 ligand (BRC), 1 pocket (best druggability 0.69). MolNFT v1 #2311 on GenesisL1: 3D structure…
- PDB
- 1BSO
- Type
- protein
- Length
- 162 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (bovine beta-lactoglobulin a)
- UniProt
- P02754
- Ligands
- BRC
- Pockets
- 1 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (bovine beta-lactoglobulin a) | protein | 162 | 14% helix, 40% strand | P02754 |
Ligands and binding sites
- BRC · 12-bromododecanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 204 | 0.69 | 0.85 | 34 | BRC |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 1BSO · 12-bromododecanoic acid binds inside the calyx of bovine beta-lactoglobulin · the same entry in another collection · chain A against A, TM-score 1.00
- P02754 · AlphaFold monomer V2.0 prediction for beta-lactoglobulin (P02754) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 1BSO · PDBe 1BSO · UniProt P02754
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