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Crystal structure of goat beta-lactoglobulin (orthorhombic form)

Analyse Crystal structure of goat beta-lactoglobulin (orthorhombic form) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4OMW
Type: protein
Length: 648 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactoglobulin
UniProt: P02756
Ligands: TE4, SO4
Pockets: 5 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Beta-lactoglobulin	protein	162	21% helix, 43% strand	P02756

Ligands and binding sites

TE4 · Tetracaine · ligand · chains D
SO4 · Sulfate ion · ion · 3 copies · chains C, A, D
GOL · Glycerol · additive · 3 copies · chains A, B, C

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

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1128	0.76	0.79	109	empty
2	206	0.52	0.77	26	empty
3	58	0.39	0.80	12	empty
4	98	0.38	0.75	17	empty
5	72	0.34	0.76	16	empty

Interfaces

4 interfaces between chains.

A–C · 667 Å² buried · 3 hydrogen bonds · protein-protein
C–D · 491 Å² buried · 10 hydrogen bonds · protein-protein
A–B · 459 Å² buried · 4 hydrogen bonds · protein-protein
A–D · 38 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

4OMW · Crystal structure of goat beta-lactoglobulin (orthorhombic form) · the same entry in another collection · chain A against A, TM-score 1.00
P02756 · AlphaFold monomer V2.0 prediction for beta-lactoglobulin (P02756) · 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 P02756
Elsewhere: RCSB PDB 4OMW · PDBe 4OMW · UniProt P02756

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