4NMP: CFTR Associated Ligand (CAL) PDZ domain

CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(Ac-K-3) (ANSRWP[Ac-K]SII). Determined by X-ray diffraction at 1.3 Å resolution. Released 1 Oct 2014.

Method: X-ray diffraction
Resolution: 1.3 Å
Organism: Homo sapiens
Chains: 4
Atoms: 1,732
Mol. weight: 21.32 kDa
Released: 1 Oct 2014

Explore 4NMP in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4NMP contains 6 α-helices and 15 β-strands across 4 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 3 helices, 7 β-strands

Element	Residues	Length	Sheet
β-strand	287-292	6	1
β-strand	297	1	2
β-strand	301-306	6	1
α-helix	307-309	3
β-strand	311-318	8	1
α-helix	323-327	5
β-strand	334-339	6	1
β-strand	342-343	2	1
α-helix	349-358	10
β-strand	362-369	8	1

Chain B: 3 helices, 6 β-strands

Element	Residues	Length	Sheet
β-strand	287-293	7	2
β-strand	301-306	6	2
α-helix	307-309	3
β-strand	311-318	8	2
α-helix	323-327	5
β-strand	335-339	5	2
β-strand	342-343	2	2
α-helix	349-358	10
β-strand	361-368	8	2

Chain C: 0 helices, 1 β-strand

Element	Residues	Length	Sheet
β-strand	7-9	3	1

Chain D: 0 helices, 1 β-strand

Element	Residues	Length	Sheet
β-strand	8-9	2	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Golgi-associated PDZ and coiled-coil motif-containing protein	A, B	protein	87	Homo sapiens	Q9HD26 (AlphaFold model)
iCAL36(Ac-K-3) peptide	C, D	protein	10

Sequence of entity 1 (A, B), FASTA

>4NMP_1 Golgi-associated PDZ and coiled-coil motif-containing protein (chains A, B)
GPIRKVLLLKEDHEGLGISITGGKEHGVPILISEIHPGQPADRCGGLHVGDAILAVNGVN
LRDTKHKEAVTILSQQRGEIEFEVVYV

Sequence of entity 2 (C, D), FASTA

>4NMP_2 iCAL36(Ac-K-3) peptide (chains C, D)
ANSRWPKSII

Primary citation

Chemically Modified Peptide Scaffolds Target the CFTR-Associated Ligand PDZ Domain. Amacher, J.F., Zhao, R., Spaller, M.R. et al. PLoS One (2014) 9:e103650-e103650. DOI 10.1371/journal.pone.0103650 · PubMed

Other PDB entries of the same protein (UniProt Q9HD26 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4JOK 1.09 Å, CFTR Associated Ligand (CAL) PDZ domain bound to peptide Y-iCAL36 (ANSRYPTSII)
4JOE 1.14 Å, CFTR Associated Ligand (CAL) PDZ domain bound to peptide A-iCAL36 (ANSRAPTSII)
4JOF 1.2 Å, CFTR Associated Ligand (CAL) PDZ domain bound to peptide L-iCAL36 (ANSRLPTSII)
4JOJ 1.2 Å, CFTR Associated Ligand (CAL) domain bound to peptide F-iCAL36 (ANSRFPTSII)
4JOR 1.34 Å, CFTR Associated Ligand (CAL) PDZ domain bound to HPV18 E6 oncoprotein C-terminal peptide…
7JZQ 1.35 Å, CFTR Associated Ligand (CAL) PDZ domain bound to peptidomimetic LyCALPMB
5K4F 1.36 Å, CAL PDZ mutant C319A with a peptide
4E34 1.4 Å, Crystal structure of CFTR Associated Ligand (CAL) PDZ domain bound to iCAL36…
4E35 1.4 Å, Crystal structure of CFTR Associated Ligand (CAL) PDZ domain bound to iCAL36-L…
4NMO 1.4 Å, CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(Ac-K-1)(ANSRWPTS[Ac-K]I)
4NMQ 1.4 Å, CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(Ac-K-4) (ANSRW[Ac-K]TSII)
4NMT 1.4 Å, CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(TFA-K-1)…

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