8Q6H: Human PI4KIIIB

Human PI4KIIIB in complex with covalently bound inhibitor (compound 11). Determined by X-ray diffraction at 1.94 Å resolution. Released 13 Dec 2023.

Method: X-ray diffraction
Resolution: 1.94 Å
Organism: Homo sapiens
Chains: 1
Atoms: 3,420
Mol. weight: 49.04 kDa
Ligands: KI7, MG
Released: 13 Dec 2023

Explore 8Q6H in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8Q6H contains 19 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: 19 helices, 10 β-strands

Element	Residues	Length	Sheet
α-helix	307-324	18
α-helix	330-344	15
α-helix	345-347	3
α-helix	355-357	3
β-strand	361-365	5	1
β-strand	372-373	2	1
β-strand	382-390	9	1
α-helix	398-402	5
α-helix	522-532	11
β-strand	541-549	9	1
α-helix	555-573	19
β-strand	585-587	3	1
β-strand	593-595	3	1
β-strand	601-603	3	2
α-helix	604-611	8
α-helix	615-622	8
α-helix	629-652	24
β-strand	662-665	4	2
β-strand	670-672	3	2
α-helix	681	1
α-helix	684-685	2
α-helix	697-702	6
α-helix	709-727	19
α-helix	729-742	14
β-strand	749	1	3
α-helix	751-759	9
α-helix	767-781	15
α-helix	786-790	5
α-helix	793-795	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Phosphatidylinositol 4-kinase beta	A	protein	424	Homo sapiens	Q9UBF8 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>8Q6H_1 Phosphatidylinositol 4-kinase beta (chains A)
GRTASNPKVENEDEPVRLAPEREFIKSLMAIGKRLATLPTKEQKTQRLISELSLLNHKLP
ARVWLPTAGFDHHVVRVPHTQAVVLNSKDKAPYLIYVEVLECENFDTTSVPARIPENRIQ
STQSVETAFKRDPEDPSAVALKEPWQEKVRRIREGSPYGHLPNWRLLSVIVKCGDDLRQE
LLAFQVLKQLQSIWEQERVPLWIKPYKILVISADSGMIEPVVNAVSIHQVKKQSQLSLLD
YFLQEHGSYTTEAFLSAQRNFVQSCAGYCLVCYLLQVKDRHNGNILLDAEGHIIHIDFGF
ILSSSPRNLGFETSAFKLTTEFVDVMGGLDGDMFNYYKMLMLQGLIAARKHMDKVVQIVE
IMQQGSQLPCFHGSSTIRNLKERFHMSMTEEQLQLLVEQMVDGSMRSITTKLYDGFQYLT
NGIM

Ligands and cofactors

ID	Name	Formula	Copies
KI7	3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-7-[(4-fluorosulfonyloxyphenyl)methylam…	C22 H20 F2 N4 O7 S2	1
MG	Magnesium ion	Mg	1

Water and common crystallization additives (EDO) are not listed.

Primary citation

Covalent targeting of non-cysteine residues in PI4KIII beta. Cosgrove, B., Grant, E.K., Bertrand, S. et al. RSC Chem Biol (2023) 4:1111-1122. DOI 10.1039/d3cb00142c · 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)
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
5FBV 3.29 Å, PI4KB in complex with Rab11 and the MI364 Inhibitor

Browse structure collections

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