5FC4: Mcl-1

Mcl-1 complexed with small molecule inhibitor. Determined by X-ray diffraction at 1.5 Å resolution. Released 2 Mar 2016.

Method: X-ray diffraction
Resolution: 1.5 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,439
Mol. weight: 18.13 kDa
Ligands: 5WK, 5WL
Released: 2 Mar 2016

Explore 5FC4 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5FC4 contains 8 α-helices and 0 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: 8 helices, 0 β-strands

Element	Residues	Length
α-helix	173-190	18
α-helix	204-223	20
α-helix	225-235	11
α-helix	240-254	15
α-helix	261-280	20
α-helix	284-286	3
α-helix	287-308	22
α-helix	311-318	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Induced myeloid leukemia cell differentiation protein Mcl-1	A	protein	150	Homo sapiens	Q07820 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5FC4_1 Induced myeloid leukemia cell differentiation protein Mcl-1 (chains A)
GDELYRQSLEIISRYLREQATGAKDTKPMGRAGATSRKALETLRRVGDGVQRNHETAFQG
MLRKLDIANEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIAPL
AESITDVLVRTKRDWLVAQRGWDGFVEFFH

Ligands and cofactors

ID	Name	Formula	Copies
5WK	2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol	C11 H8 F4 N2 O	1
5WL	6-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-c…	C23 H21 Cl N2 O4 S	2

Primary citation

Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods. Pelz, N.F., Bian, Z., Zhao, B. et al. J Med Chem (2016) 59:2054-2066. DOI 10.1021/acs.jmedchem.5b01660 · 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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