8VJP: PDB entry 8VJP

Histidine-covalent stapled alpha-helical peptide (155H1) targeting hMcl-1. Determined by X-ray diffraction at 1.13 Å resolution. Released 15 May 2024.

Method: X-ray diffraction
Resolution: 1.13 Å
Organisms: Homo sapiens, synthetic construct
Chains: 2
Atoms: 1,572
Mol. weight: 19.61 kDa
Ligands: A1AJD, A1AJE
Released: 15 May 2024

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

Secondary structure: helices and β-sheets

8VJP contains 14 α-helices and 0 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: 13 helices, 0 β-strands

Element	Residues	Length
α-helix	173-191	19
α-helix	198-199	2
α-helix	203-223	21
α-helix	225-235	11
α-helix	242-253	12
α-helix	254-256	3
α-helix	261-280	20
α-helix	284-286	3
α-helix	287-296	10
α-helix	297-301	5
α-helix	303-308	6
α-helix	311-318	8
α-helix	320-322	3

Chain B: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	3-13	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Induced myeloid leukemia cell differentiation protein Mcl-1	A	protein	156	Homo sapiens	Q07820 (AlphaFold model)
Histidine-covalent stapled alpha-helical peptide	B	protein	15	synthetic construct

Sequence of entity 1 (A), FASTA

>8VJP_1 Induced myeloid leukemia cell differentiation protein Mcl-1 (chains A)
GSHMDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETA
FQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCI
EPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVED

Sequence of entity 2 (B), FASTA

>8VJP_2 Histidine-covalent stapled alpha-helical peptide (chains B)
XAIAEQLRAIGDAFX

Ligands and cofactors

ID	Name	Formula	Copies
A1AJD	(4Z)-oct-4-en-1-ol	C8 H16 O	1
A1AJE	(S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid	C8 H9 N O4 S	1

Primary citation

Histidine-Covalent Stapled Alpha-Helical Peptides Targeting hMcl-1. Alboreggia, G., Udompholkul, P., Baggio, C. et al. J Med Chem (2024) 67:8172-8185. DOI 10.1021/acs.jmedchem.4c00277 · PubMed

Other PDB entries of the same protein (UniProt Q07820 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9PQ7 1.24 Å, MBP-Mcl1 in complex with ligand 21b
9PQ5 1.28 Å, MBP-Mcl1 in complex with ligand 8
6UDV 1.35 Å, X-ray co-crystal structure of compound 3 bound to human Mcl-1
9UGP 1.39 Å, Crystal structure of MCL-1 in complex with HRK BH3
8G3S 1.4 Å, MBP-Mcl1 in complex with ligand 11
5W89 1.42 Å, Crystal structure of human Mcl-1 in complex with modified Bim BH3 peptide SAH-MS1-18
5C3F 1.43 Å, Crystal structure of Mcl-1 bound to BID-MM
8G3X 1.46 Å, MBP-Mcl1 in complex with ligand 32
8H7B 1.46 Å, The crystal structure of human mcl1 kinase domain in complex with MCL1-M-EBA
8SVY 1.47 Å, MBP-Mcl1 in complex with ligand 10
6OQD 1.48 Å, Crystal structure of Mcl1 with inhibitor 8
5FC4 1.5 Å, Mcl-1 complexed with small molecule inhibitor

Browse structure collections

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