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Thermodynamic, crystallographic and computational studies of non mammalian fatty acid binding to bovine B-lactoglobulin

Analyse Thermodynamic, crystallographic and computational studies of non mammalian… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6GHH
Type: protein
Length: 162 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactoglobulin
UniProt: P02754
Ligands: TDA
Pockets: 1 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-lactoglobulin	protein	162	15% helix, 41% strand	P02754

Ligands and binding sites

TDA · N-tridecanoic 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	192	0.65	0.84	30	TDA

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

6GHH · Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid… · the same entry in another collection · chain A against A, TM-score 1.00

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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 6GHH · PDBe 6GHH · UniProt P02754

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