7Q2N: Beta-lactoglobulin mutant FAF

Beta-lactoglobulin mutant FAF (I56F/L39A/M107F) in complex with desipramine (FAF-DSM). Determined by X-ray diffraction at 1.7 Å resolution. Released 11 May 2022.

Method: X-ray diffraction
Resolution: 1.7 Å
Organism: Bos taurus
Chains: 2
Atoms: 2,751
Mol. weight: 37.93 kDa
Ligands: DSM
Released: 11 May 2022

Explore 7Q2N in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7Q2N contains 10 α-helices and 22 β-strands across 2 chains. 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 AAA: 6 helices, 11 β-strands

Element	Residues	Length	Sheet
α-helix	5-7	3
α-helix	12-14	3
β-strand	17-18	2	1
β-strand	20-26	7	2
α-helix	29-31	3
β-strand	41-48	8	1
β-strand	54-62	9	1
β-strand	65-73	9	1
β-strand	74-75	2	2
β-strand	81-83	3	2
β-strand	90-97	8	2
β-strand	102-109	8	2
β-strand	116-123	8	2
α-helix	130-140	11
β-strand	147-150	4	2
α-helix	153-156	4
α-helix	159-161	3

Chain BBB: 4 helices, 11 β-strands

Element	Residues	Length	Sheet
α-helix	6-7	2
β-strand	17-18	2	3
β-strand	20-26	7	2
α-helix	29-31	3
β-strand	42-48	7	3
β-strand	54-62	9	3
β-strand	65-73	9	3
β-strand	74-75	2	2
β-strand	81-83	3	2
β-strand	90-97	8	2
β-strand	102-109	8	2
β-strand	116-123	8	2
α-helix	130-140	11
β-strand	147-150	4	2
α-helix	153-157	5

Molecules and chains

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

Sequence of entity 1 (AAA, BBB), FASTA

>7Q2N_1 Beta-lactoglobulin (chains AAA, BBB)
ASVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPARVYVEELKPTPEGDLEFLLQK
WENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCFENSAEPEQSLACQ
CLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI

Ligands and cofactors

ID	Name	Formula	Copies
DSM	3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine	C18 H22 N2	4

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

Primary citation

New ligand-binding sites identified in the crystal structures of [beta]-lactoglobulin complexes with desipramine. Loch, J.I., Barciszewski, J., Sliwiak, J. et al. IUCrJ (2022) 9:386-398. DOI 10.1107/S2052252522004183

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)
5NUK 1.7 Å, Engineered beta-lactoglobulin: variant I56F-L39A-M107F in complex with chlorpromazine…
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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