6VBX: Mcl-1

Crystal structure of Mcl-1 in complex with 138E12 peptide, Lys-covalent antagonist. Determined by X-ray diffraction at 1.95 Å resolution. Released 30 Dec 2020.

Method: X-ray diffraction
Resolution: 1.95 Å
Organisms: Homo sapiens, synthetic construct
Chains: 2
Atoms: 1,299
Mol. weight: 19.66 kDa
Released: 30 Dec 2020

Explore 6VBX in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6VBX contains 11 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: 10 helices, 0 β-strands

Element	Residues	Length
α-helix	174-191	18
α-helix	204-212	9
α-helix	213-217	5
α-helix	218-223	6
α-helix	225-235	11
α-helix	244-254	11
α-helix	261-280	20
α-helix	284-286	3
α-helix	287-308	22
α-helix	311-318	8

Chain B: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	1-11	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)
Synthetic peptide	B	protein	13	synthetic construct	O43521 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6VBX_1 Induced myeloid leukemia cell differentiation protein Mcl-1 (chains A)
GSHMDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETA
FQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCI
EPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVED

Sequence of entity 2 (B), FASTA

>6VBX_2 Synthetic peptide (chains B)
XIAEQLRRIGDRF

Primary citation

Design, Synthesis, and Structural Characterization of Lysine Covalent BH3 Peptides Targeting Mcl-1. Gambini, L., Udompholkul, P., Baggio, C. et al. J Med Chem (2021) 64:4903-4912. DOI 10.1021/acs.jmedchem.1c00005 · PubMed

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

8VJP 1.13 Å, Histidine-covalent stapled alpha-helical peptide (155H1) targeting hMcl-1
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

Browse structure collections

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