8PJ7: MLLT3

MLLT3 in complex with compound PFI-6. Determined by X-ray diffraction at 1.26 Å resolution. Released 22 Nov 2023.

Method: X-ray diffraction
Resolution: 1.26 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,362
Mol. weight: 18.39 kDa
Ligands: PO4, ZJ9
Released: 22 Nov 2023

Explore 8PJ7 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8PJ7 contains 4 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: 4 helices, 9 β-strands

Element	Residues	Length	Sheet
β-strand	7-19	13	1
β-strand	30-37	8	1
α-helix	38-39	2
α-helix	44-46	3
β-strand	48-54	7	2
β-strand	63-66	4	2
β-strand	71-77	7	1
β-strand	81-89	9	2
β-strand	97-104	8	2
α-helix	112-113	2
β-strand	114-124	11	1
α-helix	129-137	9
β-strand	141	1	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Protein AF-9	A	protein	148	Homo sapiens	P42568 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>8PJ7_1 Protein AF-9 (chains A)
MASSCAVQVKLELGHRAQVRKKPTVEGFTHDWMVFVRGPEHSNIQHFVEKVVFHLHESFP
RPKRVCKDPPYKVEESGYAGFILPIEVYFKNKEEPRKVRFDYDLFLHLEGHPPVNHLRCE
KLTFNNPTEDFRRKLLKAGGDAHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
PO4	Phosphate ion	O4 P	1
ZJ9	~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl…	C22 H21 N3 O4	1

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

Primary citation

Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3. Raux, B., Buchan, K.A., Bennett, J. et al. Bioorg Med Chem Lett (2023) 98:129546-129546. DOI 10.1016/j.bmcl.2023.129546 · PubMed

Other PDB entries of the same protein (UniProt P42568 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7VKG 1.83 Å, Crystal structure of AF9 YEATS domain in complex with Compound 10
5YYF 1.9 Å, Crystal structure of AF9 YEATS domain in complex with a peptide inhibitor…
6MIL 1.93 Å, Crystal structure of AF9 YEATS domain in complex with histone H3K9bu
7EIC 1.95 Å, Crystal structure of AF9 YEATS domain in complex with H4K5acK8ac peptide
7EID 2.0 Å, Crystal structure of AF9 YEATS domain in complex with H4K8acK12ac peptide
8TLX 2.1 Å, Crystal structure of MBP and AF9 AHD fusion protein 3AQA in complex with peptidomimetic…
9ARR 2.1 Å, Crystal structure of AF9 YEATS domain in complex with dicrotonylated at K1007 and K1014…
8TLW 2.11 Å, Crystal structure of MBP and AF9 AHD fusion protein 3AQA in complex with peptidomimetic…
6LS6 2.2 Å, Crystal Structure of YEATS domain of AF9 in complex with H3K9bz peptide
7VKH 2.25 Å, Crystal structure of AF9 YEATS domain in complex with hit 2
4TMP 2.3 Å, Crystal structure of AF9 YEATS bound to H3K9ac peptide
9ARO 2.3 Å, Crystal structure of AF9 YEATS domain in complex with acetylated at K1007 MOZ

Browse structure collections

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