6OQD: Mcl1 with inhibitor 8

Crystal structure of Mcl1 with inhibitor 8. Determined by X-ray diffraction at 1.48 Å resolution. Released 15 May 2019.

Method: X-ray diffraction
Resolution: 1.48 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,466
Mol. weight: 18.51 kDa
Ligands: N0M
Released: 15 May 2019

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

Secondary structure: helices and β-sheets

6OQD contains 12 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: 12 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	240-244	5
α-helix	246-250	5
α-helix	251-255	5
α-helix	261-280	20
α-helix	284-286	3
α-helix	287-308	22
α-helix	311-319	9
α-helix	322-325	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Induced myeloid leukemia cell differentiation protein Mcl-1	A	protein	157	Homo sapiens	Q07820 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6OQD_1 Induced myeloid leukemia cell differentiation protein Mcl-1 (chains A)
EDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQG
MLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPL
AESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGG

Ligands and cofactors

ID	Name	Formula	Copies
N0M	(4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13…	C31 H39 Cl N2 O5 S	1

Primary citation

AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Caenepeel, S., Brown, S.P., Belmontes, B. et al. Cancer Discov (2018) 8:1582-1597. DOI 10.1158/2159-8290.CD-18-0387 · 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
5FC4 1.5 Å, Mcl-1 complexed with small molecule inhibitor

Browse structure collections

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