MolNFT v1 · #1851 · protein

Bovine beta-lactoglobulin, lattice X

1BEB: “Bovine beta-lactoglobulin, lattice X”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.75). MolNFT v1 #1851 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1BEB
Type: protein
Length: 312 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactoglobulin
UniProt: P02754
Ligands: SO4
Pockets: 4 · best druggability 0.75

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Beta-lactoglobulin	protein	156	16% helix, 42% strand	P02754

Ligands and binding sites

SO4 · Sulfate ion · ion · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	58	0.75	0.99	21	empty
2	60	0.74	0.98	22	empty
3	389	0.62	0.77	40	empty
4	79	0.45	0.81	19	empty

Interfaces

1 interface between chains.

A–B · 578 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

1BEB · Bovine beta-lactoglobulin, lattice X · 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 0.99

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 1BEB · PDBe 1BEB · UniProt P02754

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