5NUK: Beta-lactoglobulin

Engineered beta-lactoglobulin: variant I56F-L39A-M107F in complex with chlorpromazine (LG-FAF-CLP). Determined by X-ray diffraction at 1.7 Å resolution. Released 4 Apr 2018.

Method: X-ray diffraction
Resolution: 1.7 Å
Organism: Bos taurus
Chains: 1
Atoms: 1,397
Mol. weight: 18.88 kDa
Ligands: Z80, PO4
Released: 4 Apr 2018

Explore 5NUK in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5NUK contains 5 α-helices and 10 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 5 helices, 10 β-strands

Element	Residues	Length	Sheet
α-helix	12-15	4
β-strand	17-18	2	1
β-strand	20-26	7	1
α-helix	29-31	3
β-strand	41-48	8	1
β-strand	54-62	9	1
β-strand	65-75	11	1
β-strand	81-84	4	1
β-strand	90-97	8	1
β-strand	102-108	7	1
β-strand	117-123	7	1
α-helix	130-141	12
β-strand	147-150	4	1
α-helix	153-156	4
α-helix	159-161	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Beta-lactoglobulin	A	protein	162	Bos taurus	P02754 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5NUK_1 Beta-lactoglobulin (chains A)
ASVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPARVYVEELKPTPEGDLEFLLQK
WENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCFENSAEPEQSLACQ
CLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI

Ligands and cofactors

ID	Name	Formula	Copies
Z80	3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine	C17 H19 Cl N2 S	1
PO4	Phosphate ion	O4 P	1

Water and common crystallization additives (SO4, GOL, CL) are not listed.

Primary citation

The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers. Loch, J.I., Bonarek, P., Tworzydlo, M. et al. Int J Biol Macromol (2018) 114:85-96. DOI 10.1016/j.ijbiomac.2018.03.074 · PubMed

Other PDB entries of the same protein (UniProt P02754 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7Q19 1.55 Å, Beta-lactoglobulin mutant FAW (I56F/L39A/M107W) in complex with desipramine (FAW-DSM#3)
4GNY 1.64 Å, Bovine beta-lactoglobulin complex with dodecyl sulfate
7Q2P 1.69 Å, Beta-lactoglobulin mutant FAW (I56F/L39A/M107W) in complex with desipramine (FAW-DSM#2)
7Q2N 1.7 Å, Beta-lactoglobulin mutant FAF (I56F/L39A/M107F) in complex with desipramine (FAF-DSM)
7KOT 1.74 Å, Energetic and structural effects of the Tanford transition on the ligand recognition of…
1BEB 1.8 Å, Bovine beta-lactoglobulin, lattice X
7BF8 1.8 Å, Mutant I56F of recombinant bovine beta-lactoglobulin in complex with tetracaine
7BF9 1.8 Å, Mutant M107L of recombinant bovine beta-lactoglobulin in complex with tetracaine
7Q17 1.8 Å, Beta-lactoglobulin mutant FAW (I56F/L39A/M107W), unliganded form
7Q2O 1.8 Å, Beta-lactoglobulin mutant FAW (I56F/L39A/M107W) in complex with desipramine (FAW-DSM#1)
7Q18 1.8 Å, Beta-lactoglobulin mutant FAF (I56F/L39A/M107F), unliganded form
4KII 1.85 Å, Beta-lactoglobulin in complex with Cp*Rh(III)Cl N,N-di(pyridin-2-yl)dodecanamide

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