9FKR: KAT6A

KAT6A in complex with small molecule inhibitor bay-184. Determined by X-ray diffraction at 2.69 Å resolution. Released 6 Nov 2024.

Method: X-ray diffraction
Resolution: 2.69 Å
Organism: Homo sapiens
Chains: 2
Atoms: 4,487
Mol. weight: 65.79 kDa
Ligands: ZN, A1IDR
Released: 6 Nov 2024

Explore 9FKR in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9FKR contains 24 α-helices and 30 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 A: 12 helices, 16 β-strands

Element	Residues	Length	Sheet
β-strand	511-514	4	1
β-strand	517-520	4	1
α-helix	529-532	4
β-strand	536-539	4	1
β-strand	546-547	2	1
α-helix	550-559	10
β-strand	568-573	6	2
β-strand	576-582	7	2
α-helix	587-598	12
β-strand	613-622	10	2
β-strand	625-635	11	2
β-strand	642-644	3	3
β-strand	647-649	3	2
α-helix	651-653	3
α-helix	658-672	15
β-strand	677	1	4
β-strand	678-679	2	3
α-helix	680	1
α-helix	683-684	2
α-helix	685-704	20
α-helix	713-720	8
β-strand	722	1	4
α-helix	724-733	10
β-strand	737	1	5
β-strand	746	1	5
α-helix	750-763	14
α-helix	771-773	3
β-strand	774	1	2

Chain B: 12 helices, 14 β-strands

Element	Residues	Length	Sheet
β-strand	511-514	4	6
β-strand	517-520	4	6
α-helix	529-532	4
β-strand	536-539	4	6
β-strand	546-547	2	6
α-helix	550-559	10
β-strand	568-573	6	7
β-strand	576-582	7	7
α-helix	587-598	12
β-strand	613-622	10	7
β-strand	625-635	11	7
β-strand	644	1	8
β-strand	647-649	3	7
α-helix	651-653	3
α-helix	658-672	15
β-strand	677	1	9
β-strand	679	1	8
α-helix	680	1
α-helix	683-684	2
α-helix	685-704	20
α-helix	714-720	7
β-strand	722	1	9
α-helix	724-733	10
α-helix	750-761	12
α-helix	771-773	3
β-strand	774	1	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Histone acetyltransferase KAT6A	A, B	protein	272	Homo sapiens	Q92794 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>9FKR_1 Histone acetyltransferase KAT6A (chains A, B)
GSPSVIEFGKYEIHTWYSSPYPQEYSRLPKLYLCEFCLKYMKSRTILQQHMKKCGWFHPP
ANEIYRKNNISVFEVDGNVSTIYCQNLCLLAKLFLDHKTLYYDVEPFLFYVLTQNDVKGC
HLVGYFSKEKHSQQKYNVSSIMILPQYQRKGYGRFLIDFSYLLSKREGQAGSPEKPLSDL
GRLSYMAYWKSVILECLYHQNDKQISIKKLSKLTGISPQDITSTLHHLRMLDFRSDQFVI
IRREKLIQDHMAKLQLNLRPVDVDPESLRWTP

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	2
A1IDR	6-(dimethylamino)-~{N}-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide	C23 H20 N2 O4 S	2

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

Primary citation

Discovery and Characterization of BAY-184: A New Potent and Selective Acylsulfonamide-Benzofuran In Vivo -Active KAT6AB Inhibitor. Ter Laak, A., Hillig, R.C., Ferrara, S.J. et al. J Med Chem (2024) 67:19282-19303. DOI 10.1021/acs.jmedchem.4c01709 · PubMed

Other PDB entries of the same protein (UniProt Q92794 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5B78 1.4 Å, Crystal structure of MOZ double PHD finger mutant-S210D/N235R in complex with histone H3…
3V43 1.47 Å, Crystal structure of MOZ
7Y43 1.5 Å, Crystal structure of the KAT6A WH domain and its bound double stranded DNA
5B77 1.55 Å, Crystal structrue of MOZ double PHD finger in complex with histone H3 propionylation at…
4LK9 1.6 Å, Crystal Structure of MOZ double PHD finger histone H3 tail complex
4LKA 1.61 Å, Crystal Structure of MOZ double PHD finger histone H3K9ac complex
5B76 1.65 Å, Crystal structure of MOZ double PHD finger domain in complex with histone H3…
5B75 1.7 Å, Crystal structure of MOZ double PHD finger in complex with histone H3 butyrylation at K14
9DZN 1.72 Å, KAT6A MYST domain complexed with a H3K14-CoA bisubstrate inhibitor
8H7A 1.92 Å, Crystal structure of the dimer form KAT6A WH domain with its bound double stranded DNA
6LSB 2.0 Å, Crystal Structure of DPF domain of MOZ in complex with H3K14bz peptide
9ARR 2.1 Å, Crystal structure of AF9 YEATS domain in complex with dicrotonylated at K1007 and K1014…

Browse structure collections

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