› 6p3p

X-ray diffraction
1.61Å resolution

Crystal structure of Mcl-1 in complex with compound 65

Released:
DOI: 10.2210/pdb6p3p/pdb
PDB entry 6p3p coloured by chain, front view.
PDB entry 6p3p coloured by chain, side view.
PDB entry 6p3p coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors.
Follows B, Fessler S, Baumeister T, Campbell AM, Zablocki MM, Li H, Gotur D, Wang Z, Zheng X, Molz L, Nguyen C, Herbertz T, Wang L, Bair K
Bioorg Med Chem Lett 29 2375-2382 (2019)
PMID: 31235261

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170534 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Induced myeloid leukemia cell differentiation protein Mcl-1 Chain: A
Molecule details ›
Chain: A
Length: 157 amino acids
Theoretical weight: 17.88 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q07820 (Residues: 171-327; Coverage: 45%)
Gene names: BCL2L3, MCL1
Sequence domains: Apoptosis regulator proteins, Bcl-2 family

Ligands and Environments

1 bound ligand:
Ligand NQJ 1 x NQJ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P21
Unit cell:
a: 38.229Å b: 48.245Å c: 40.707Å
α: 90° β: 108.5° γ: 90°
R-values:
R R work R free
0.191 0.19 0.213
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 mention without citation

Mixture-Based Screening of Focused Combinatorial Libraries by NMR: Application to the Antiapoptotic Protein hMcl-1.
Alboreggia et al. (2023)