› 4nms

X-ray diffraction
1.7Å resolution

CFTR Associated Ligand (CAL)PDZ domain bound to peptide iCAL36(FLB-K-1) (ANSRWPTS[4-fluorobenzoic-acyl-K]I)

Released:
DOI: 10.2210/pdb4nms/pdb
PDB entry 4nms coloured by chain, front view.
PDB entry 4nms coloured by chain, side view.
PDB entry 4nms coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Chemically modified peptide scaffolds target the CFTR-associated ligand PDZ domain.
Amacher JF, Zhao R, Spaller MR, Madden DR
PLoS One 9 e103650 (2014)
PMID: 25136860

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-164908 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Golgi-associated PDZ and coiled-coil motif-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 87 amino acids
Theoretical weight: 9.35 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9HD26 (Residues: 284-370; Coverage: 19%)
Gene names: CAL, FIG, GOPC
Sequence domains: PDZ domain
Structure domains: Pdz3 Domain
iCAL36(FLB-K-1) peptide Chains: C, D
Molecule details ›
Chains: C, D
Length: 10 amino acids
Theoretical weight: 1.28 KDa
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand GOL 2 x GOL
1 modified residue:
Ligand 2KK 2 x 2KK

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X6A
Spacegroup: P212121
Unit cell:
a: 36.275Å b: 47.736Å c: 97.776Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.172 0.207
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

6 review citations

PDZ Domains as Drug Targets.
Christensen et al. (2019)
5 more

1 mention without citation

Chemically modified peptide scaffolds target the CFTR-associated ligand PDZ domain.
Amacher et al. (2014)