› 6z1q

X-ray diffraction
2.42Å resolution

MAP3K14 (NIK) in complex with DesF-3R/4076

Released:
DOI: 10.2210/pdb6z1q/pdb
PDB entry 6z1q coloured by chain, front view.
PDB entry 6z1q coloured by chain, side view.
PDB entry 6z1q coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
FEP+ calculations predict a stereochemical SAR switch for first-in-class indoline NIK inhibitors for multiple myeloma
Jacoby E, Vlijmen HV, Querolle O, Stansfield I, Meerpoel L, Versele M, Hynd G, Attar R
Future Drug Discov 2 (2020)

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-189222 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase kinase kinase 14 Chains: AAA, BBB
Molecule details ›
Chains: AAA, BBB
Length: 351 amino acids
Theoretical weight: 38.77 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q99558 (Residues: 330-680; Coverage: 37%)
Gene names: MAP3K14, NIK
Sequence domains: Protein kinase domain

Ligands and Environments

1 bound ligand:
Ligand Q58 2 x Q58
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P41
Unit cell:
a: 84.77Å b: 84.77Å c: 118.52Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.193 0.19 0.246
Expression system: Spodoptera frugiperda

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