MolNFT v1 · #89468 · protein

Bovine beta-lactoglobulin complex with oleic acid

4DQ3: “Bovine beta-lactoglobulin complex with oleic acid”. X-ray diffraction, 1 ligand (OLA), 2 pockets (best druggability 0.65). MolNFT v1 #89468 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4DQ3
Type: protein
Length: 158 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactoglobulin
UniProt: P02754
Ligands: OLA
Pockets: 2 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 42% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-lactoglobulin	protein	158	16% helix, 42% strand	P02754

Ligands and binding sites

OLA · Oleic acid · ligand · chains A
EOH · Ethanol · additive · chains A
GOL · Glycerol · additive · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	213	0.65	0.83	33	OLA
2	57	0.33	0.77	14	empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

4DQ3 · Bovine beta-lactoglobulin complex with oleic acid · 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 0.97

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 4DQ3 · PDBe 4DQ3 · UniProt P02754

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