› 6wpp

X-ray diffraction
2.55Å resolution

HUMAN NIK IN COMPLEX WITH LIGAND COMPOUND X

Released:
DOI: 10.2210/pdb6wpp/pdb
PDB entry 6wpp coloured by chain, front view.
PDB entry 6wpp coloured by chain, side view.
PDB entry 6wpp coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Impact of Protein Preparation on Resulting Accuracy of FEP Calculations.
Shih AY, Hack M, Mirzadegan T
J Chem Inf Model 60 5287-5289 (2020)
PMID: 32786514

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: A, B
Molecule details ›
Chains: A, B
Length: 347 amino acids
Theoretical weight: 37.96 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q99558 (Residues: 343-686; Coverage: 36%)
Gene names: MAP3K14, NIK
Sequence domains: Protein kinase domain

Ligands and Environments

1 bound ligand:
Ligand PZ4 2 x PZ4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P21
Unit cell:
a: 60.483Å b: 81.521Å c: 78.42Å
α: 90° β: 111.43° γ: 90°
R-values:
R R work R free
0.207 0.205 0.256
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Mechanistic Understanding from Molecular Dynamics in Pharmaceutical Research 2: Lipid Membrane in Drug Design.
Róg et al. (2021)
2 more