4WAG: PDB entry 4WAG

Phosphatidylinositol 4-kinase III beta crystallized with MI103 inhibitor. Determined by X-ray diffraction at 3.41 Å resolution. Released 20 May 2015.

Method: X-ray diffraction
Resolution: 3.41 Å
Organism: Homo sapiens
Chains: 1
Atoms: 3,711
Mol. weight: 65.58 kDa
Ligands: 3K7
Released: 20 May 2015

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

Secondary structure: helices and β-sheets

4WAG contains 24 α-helices and 9 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: 24 helices, 9 β-strands

Element	Residues	Length	Sheet
α-helix	141-150	10
α-helix	156-163	8
α-helix	164-166	3
α-helix	169-172	4
α-helix	176-185	10
α-helix	188-204	17
α-helix	206-218	13
α-helix	323-337	15
α-helix	339-341	3
α-helix	345-356	12
α-helix	359-361	3
β-strand	376-380	5	1
α-helix	383-385	3
β-strand	387-388	2	1
β-strand	397-405	9	1
α-helix	540-545	6
α-helix	549-552	4
β-strand	556-564	9	1
α-helix	570-588	19
β-strand	600-601	2	1
β-strand	608-610	3	1
α-helix	611-613	3
β-strand	617	1	2
α-helix	620-626	7
α-helix	630-637	8
α-helix	644-666	23
α-helix	674-676	3
β-strand	677-679	3	2
β-strand	685-687	3	2
α-helix	712-718	7
α-helix	726-754	29
α-helix	767-776	10
α-helix	782-796	15

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta	A	protein	572	Homo sapiens	Q9UBF8 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4WAG_1 Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta (chains A)
SWLLRLFESKLFDISMAISYLYNSKEPGVQAYIGNRLFCFRNEDVDFYLPQLLNMYIHMD
EDVGDAIKPYIVHRCRQSINFSLQCALLLGAYSSDMHISTQRHSRGTKLRKLILSDELKP
AHRKRELPSLSPAPDTGLSPSKRTHQRSKSDATASISLSSNLKRTASNPKVENEDEELSS
STESIDNSFSSPVRLAPEREFIKSLMAIGKRLATLPTKEQKTQRLISELSLLNHKLPARV
WLPTAGFDHHVVRVPHTQAVVLNSKDKAPYLIYVEVLECENFDTTSVPARIPENRRDPED
PSAVALKEPWQEKVRRIREGSPYGHLPNWRLLSVIVKCGDDLRQELLAFQVLKQLQSIWE
QERVPLWIKPYKILVISADSGMIEPVVNAVSIHQVKKQSQLSLLDYFLQEHGSYTTEAFL
SAQRNFVQSCAGYCLVCYLLQVKDRHNGNILLDAEGHIIHIDFGFILSSSPRNLGFETSA
FKLTTEFVDVMGGLDGDMFNYYKMLMLQGLIAARKHMDKVVQIVEIMQQGSQLPCFHGSS
TIRNLKERFHMSMTEEQLQLLVEQMVDGSMRS

Ligands and cofactors

ID	Name	Formula	Copies
3K7	6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine	C15 H15 Cl N4 O2	1

Primary citation

Highly Selective Phosphatidylinositol 4-Kinase III beta Inhibitors and Structural Insight into Their Mode of Action. Mejdrova, I., Chalupska, D., Kogler, M. et al. J Med Chem (2015) 58:3767-3793. DOI 10.1021/acs.jmedchem.5b00499 · PubMed

Other PDB entries of the same protein (UniProt Q9UBF8 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8Q6F 1.51 Å, Human PI4KIIIB in complex with covalently bound inhibitor (compound 4)
8Q6G 1.54 Å, Human PI4KIIIB in complex with covalently bound inhibitor (compound 8)
8Q6H 1.94 Å, Human PI4KIIIB in complex with covalently bound inhibitor (compound 11)
5NAS 2.08 Å, Crystal structure of human 14-3-3 zeta in complex with PI4KIIIB peptide
5LX2 2.58 Å, Lt 14-3-3 in complex with PI4KIIIB peptide
5C46 2.65 Å, Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta…
6GL3 2.77 Å, Crystal structure of human Phosphatidylinositol 4-kinase III beta (PI4KIIIbeta) in…
4D0L 2.94 Å, Phosphatidylinositol 4-kinase III beta-PIK93 in a complex with Rab11a- GTP gammaS
8VOF 3.0 Å, GI targeted CpPI4K inhibitor
5C4G 3.2 Å, Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta…
5EUQ 3.2 Å, Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta…
5FBR 3.28 Å, PI4KB in complex with Rab11 and the MI359 Inhibitor

Browse structure collections

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