› 7vuu

X-ray diffraction
1.95Å resolution

Crystal structure of AlleyCat10 with inhibitor

Released:
DOI: 10.2210/pdb7vuu/pdb
PDB entry 7vuu coloured by chain, front view.
PDB entry 7vuu coloured by chain, side view.
PDB entry 7vuu coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
NMR-guided directed evolution.
Bhattacharya S, Margheritis EG, Takahashi K, Kulesha A, D'Souza A, Kim I, Yoon JH, Tame JRH, Volkov AN, Makhlynets OV, Korendovych IV
Nature 610 389-393 (2022)
PMID: 36198791

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-143908 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Calmodulin-1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 73 amino acids
Theoretical weight: 8.56 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P0DP23 (Residues: 77-149; Coverage: 49%)
Gene names: CALM, CALM1, CAM, CAM1
Sequence domains: EF-hand domain pair

Ligands and Environments

2 bound ligands:
Ligand 3NY 4 x 3NY
Ligand CA 17 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P43212
Unit cell:
a: 82.919Å b: 82.919Å c: 104.948Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.25 0.248 0.278
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Fishing for Catalysis: Experimental Approaches to Narrowing Search Space in Directed Evolution of Enzymes.
Marshall et al. (2023)
1 more

1 mention without citation

NMR-guided directed evolution.
Bhattacharya et al. (2022)