› 4y8d

X-ray diffraction
2.1Å resolution

Crystal structure of Cyclin-G associated kinase (GAK) complexed with selective 12i inhibitor

Released:
DOI: 10.2210/pdb4y8d/pdb
PDB entry 4y8d coloured by chain, front view.
PDB entry 4y8d coloured by chain, side view.
PDB entry 4y8d coloured by chain, top view.
Source organisms:
Primary publication:
Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents.
Kovackova S, Chang L, Bekerman E, Neveu G, Barouch-Bentov R, Chaikuad A, Heroven C, Šála M, De Jonghe S, Knapp S, Einav S, Herdewijn P
J Med Chem 58 3393-410 (2015)
PMID: 25822739

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-208046 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Cyclin-G-associated kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 340 amino acids
Theoretical weight: 38.18 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O14976 (Residues: 14-351; Coverage: 26%)
Gene names: DNAJC26, GAK
Sequence domains: Protein kinase domain
Structure domains:
nanobody Chains: C, D
Molecule details ›
Chains: C, D
Length: 140 amino acids
Theoretical weight: 15.09 KDa
Source organism: Lama glama
Structure domains: Immunoglobulins

Ligands and Environments

2 bound ligands:
Ligand 49J 2 x 49J
Ligand EDO 5 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P1
Unit cell:
a: 37.706Å b: 68.703Å c: 89.868Å
α: 109.7° β: 95.08° γ: 99.04°
R-values:
R R work R free
0.194 0.192 0.232
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

11 review citations

Current therapy for chronic hepatitis C: The role of direct-acting antivirals.
Li et al. (2017)
10 more

5 mentions without citation

Sterols and Triterpenes: Antiviral     Potential Supported by In-Silico Analysis.
Hisham Shady et al. (2020)
4 more