4KII: Beta-lactoglobulin

Beta-lactoglobulin in complex with Cp*Rh(III)Cl N,N-di(pyridin-2-yl)dodecanamide. Determined by X-ray diffraction at 1.85 Å resolution. Released 4 Sept 2013.

Method: X-ray diffraction
Resolution: 1.85 Å
Organism: Bos taurus
Chains: 1
Atoms: 1,390
Mol. weight: 18.84 kDa
Ligands: RHL
Released: 4 Sept 2013

Explore 4KII in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4KII contains 5 α-helices and 11 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, 11 β-strands

Element	Residues	Length	Sheet
α-helix	12-15	4
β-strand	17-18	2	1
β-strand	20-26	7	2
α-helix	29-31	3
β-strand	42-48	7	1
β-strand	54-61	8	1
β-strand	66-73	8	1
β-strand	74-75	2	2
β-strand	81-84	4	2
β-strand	90-97	8	2
β-strand	102-108	7	2
β-strand	117-123	7	2
α-helix	130-140	11
β-strand	147-150	4	2
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

>4KII_1 Beta-lactoglobulin (chains A)
LIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQK
WENDECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLVCQ
CLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI

Ligands and cofactors

ID	Name	Formula	Copies
RHL	[N,N-di(pyridin-2-yl-kappaN)dodecanamide]rhodium	C22 H31 N3 O Rh	1

Primary citation

Structural Basis for Enantioselectivity in the Transfer Hydrogenation of a Ketone Catalyzed by an Artificial Metalloenzyme. Cherrier, M.V., Amara, P., Engilberge, S. et al. Eur J Inorg Chem (2013) 21:3596-3600. DOI 10.1002/ejic.201300592

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…
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

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