8TLW: MBP and AF9 AHD fusion protein 3AQA

Crystal structure of MBP and AF9 AHD fusion protein 3AQA in complex with peptidomimetic inhibitor 28. Determined by X-ray diffraction at 2.11 Å resolution. Released 29 May 2024.

Method: X-ray diffraction
Resolution: 2.11 Å
Organisms: Escherichia coli K-12, Homo sapiens, synthetic construct
Chains: 2
Atoms: 3,820
Mol. weight: 50.05 kDa
Released: 29 May 2024

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

Secondary structure: helices and β-sheets

8TLW contains 28 α-helices and 27 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: 28 helices, 26 β-strands

Element	Residues	Length	Sheet
α-helix	3-4	2
β-strand	7-11	5	1
α-helix	18-32	15
β-strand	35-39	5	1
α-helix	44-52	9
β-strand	60-64	5	1
α-helix	65-67	3
α-helix	68-73	6
β-strand	77	1	2
α-helix	78-80	3
α-helix	84-87	4
β-strand	90	1	3
α-helix	92-97	6
β-strand	99-100	2	4
β-strand	103-104	2	4
β-strand	107-112	6	1
β-strand	115-119	5	5
β-strand	129	1	6
α-helix	133-141	9
β-strand	146-148	3	5
α-helix	155-166	12
β-strand	170-173	4	7
β-strand	176-179	4	7
α-helix	187-201	15
α-helix	211-219	9
β-strand	223-228	6	5
α-helix	230-232	3
α-helix	233-239	7
β-strand	243-246	4	5
α-helix	247-249	3
β-strand	250	1	6
β-strand	251	1	8
β-strand	254	1	8
α-helix	255-256	2
α-helix	258	1
β-strand	259-260	2	9
β-strand	261-267	7	1
β-strand	268	1	2
α-helix	274-280	7
α-helix	281-285	5
α-helix	288-297	10
β-strand	302-303	2	1
β-strand	305	1	3
α-helix	306-312	7
α-helix	316-327	12
β-strand	329-330	2	9
α-helix	331-332	2
α-helix	337-353	17
α-helix	358-516	30
α-helix	520-533	14
β-strand	537-538	2	10
β-strand	543-545	3	10
α-helix	547-549	3
α-helix	552-564	13

Chain B: 0 helices, 1 β-strand

Element	Residues	Length	Sheet
β-strand	3-4	2	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
MBP and AF9 AHD fusion protein 3AQA	A	protein	442	Escherichia coli K-12, Homo sapiens	P0AEX9 (AlphaFold model), P42568 (AlphaFold model)
peptidomimetic inhibitor 28	B	protein	6	synthetic construct

Sequence of entity 1 (A), FASTA

>8TLW_1 MBP and AF9 AHD fusion protein 3AQA (chains A)
SGGSKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDG
PDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLI
YNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKY
DIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNID
TSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKD
KPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPCMSAFWYAVRTAVINAASGRQT
VDEALKDAQTAAADKCYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFD
LCSLDKTTVRKLQSYLETSGTS

Sequence of entity 2 (B), FASTA

>8TLW_2 peptidomimetic inhibitor 28 (chains B)
XPVAXX

Primary citation

Structural studies of intrinsically disordered MLL-fusion protein AF9 in complex with peptidomimetic inhibitors. Yang, Y., Ahmad, E., Premkumar, V. et al. Protein Sci (2024) 33:e5019-e5019. DOI 10.1002/pro.5019 · PubMed

Other PDB entries of the same protein (UniProt P0AEX9 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8C8F 1.15 Å, Crystal structure of the E. coli maltodextrin-binding protein
4EXK 1.28 Å, A chimera protein containing MBP fused to the C-terminal domain of the uncharacterized…
3Q27 1.3 Å, Cyrstal structure of human alpha-synuclein (32-57) fused to maltose binding protein (MBP)
7KD4 1.31 Å, Structure of the C-terminal domain of the Menangle virus phosphoprotein (residues 329…
5M13 1.37 Å, Synthetic nanobody in complex with MBP
5HZ7 1.43 Å, High-resolution crystal structure of the minor DNA-binding pilin ComP from Neisseria…
5H7Q 1.45 Å, Crystal structure of human MNDA PYD domain with MBP tag
6XDS 1.47 Å, Crystal structure of MBP-TREM2 Ig domain fusion with fragment,…
4IRL 1.47 Å, X-ray structure of the CARD domain of zebrafish GBP-NLRP1 like protein
8SVY 1.47 Å, MBP-Mcl1 in complex with ligand 10
3MP6 1.48 Å, Complex Structure of Sgf29 and dimethylated H3K4
9CLC 1.48 Å, Crystal structure of maltose binding protein (Apo), mutant Trp10 to 4-Cyanotryptophan

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