5IC3: CAL PDZ domain with peptide and inhibitor

CAL PDZ domain with peptide and inhibitor. Determined by X-ray diffraction at 1.7 Å resolution. Released 9 Aug 2017.

Method: X-ray diffraction
Resolution: 1.7 Å
Organisms: Homo sapiens, Alphapapillomavirus 7
Chains: 4
Atoms: 1,609
Mol. weight: 21.57 kDa
Ligands: PQR
Released: 9 Aug 2017

Explore 5IC3 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5IC3 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, 6 β-strands

Element	Residues	Length	Sheet
β-strand	279-285	7	1
β-strand	293-298	6	1
α-helix	299-301	3
β-strand	303-310	8	1
α-helix	315-319	5
β-strand	326-331	6	1
β-strand	334-335	2	1
α-helix	341-350	10
β-strand	353-361	9	1

Chain B: 3 helices, 7 β-strands

Element	Residues	Length	Sheet
β-strand	279-284	6	2
β-strand	289	1	1
β-strand	293-298	6	2
α-helix	299-301	3
β-strand	303-310	8	2
α-helix	315-319	5
β-strand	326-331	6	2
β-strand	334-335	2	2
α-helix	341-349	9
β-strand	354-361	8	2

Chains C and D: 0 helices, 1 β-strand

Element	Residues	Length	Sheet
β-strand	8-9	2	1

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)
HPV18E6 Peptide	C, D	protein	10	Alphapapillomavirus 7	P06463 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>5IC3_1 Golgi-associated PDZ and coiled-coil motif-containing protein (chains A, B)
GPIRKVLLLKEDHEGLGISITGGKEHGVPILISEIHPGQPADRCGGLHVGDAILAVNGVN
LRDTKHKEAVTILSQQRGEIEFEVVYV

Sequence of entity 2 (C, D), FASTA

>5IC3_2 HPV18E6 Peptide (chains C, D)
RLQRRRETQV

Ligands and cofactors

ID	Name	Formula	Copies
PQR	4-[methyl(nitroso)amino]benzene-1,2-diol	C7 H8 N2 O3	1

Primary citation

CAL PDZ domain with peptide and inhibitor. Zhao, Y., Madden, D.R. To be published.

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)
4NMP 1.3 Å, CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(Ac-K-3) (ANSRWP[Ac-K]SII)
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)

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