5k4f

CAL PDZ mutant C319A with a peptide

Method: X-RAY DIFFRACTION D_max: 60.1 Å Quality: GOOD

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Golgi-associated PDZ and coiled-coil motif-containing protein

Homo sapiens

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 284–370	Fragment：UNP residues 284-370 Mutation：C319A	HPV18E6 peptide × 1 （P06463）	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；31% PEG3350, 125mM NaCl, 0.1M Tris7.5	Resolution 1.36 Å R-free 0.183
2	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain B； UniProt 284–370	Fragment：UNP residues 284-370 Mutation：C319A	HPV18E6 peptide × 1 （P06463）	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；31% PEG3350, 125mM NaCl, 0.1M Tris7.5	Resolution 1.36 Å R-free 0.183

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 5K4F	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2DC2 Solution Structure of PDZ Domain Deposited 2005-12-20	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 278–373（96 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.1；303 K；Pressure 1 NMR sample composition 1.0mM 15N, 13C-labeled GOPC PDZ domain, 10mM phosphate buffer (pH 6.1), 4mM EDTA, 10% (v/v) D2O \| 90% H2O/10% D2O	Resolution not provided
2LOB PDZ Domain of CAL (Cystic Fibrosis Transmembrane Regulator-Associated Ligand) Deposited 2012-01-20	Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 286–370（85 aa） Fragment：PDZ domain residues 286-370	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.8；310 K；Ionic strength (raw mmCIF value) 1.0；Pressure ambient NMR sample composition 1.0 mM [U-100% 13C; U-100% 15N] protein_1, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
4E34 Crystal structure of CFTR Associated Ligand (CAL) PDZ domain bound to iCAL36 (ANSRWPTSII) peptide Deposited 2012-03-09	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：PDZ domain (UNP residues 284-370)	Not recorded	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；30% w/v PEG8000, 0.3 M potassium bromide, 0.1 M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.40 Å R-free 0.197
4E34 Crystal structure of CFTR Associated Ligand (CAL) PDZ domain bound to iCAL36 (ANSRWPTSII) peptide Deposited 2012-03-09	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：PDZ domain (UNP residues 284-370)	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；30% w/v PEG8000, 0.3 M potassium bromide, 0.1 M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.40 Å R-free 0.197
4E35 Crystal structure of CFTR Associated Ligand (CAL) PDZ domain bound to iCAL36-L (ANSRWPTSIL) peptide Deposited 2012-03-09	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：PDZ domain (UNP residues 284-370)	Not recorded	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；30% w/v PEG8000, 0.15 M sodium chloride, 0.1 M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.40 Å R-free 0.198
4E35 Crystal structure of CFTR Associated Ligand (CAL) PDZ domain bound to iCAL36-L (ANSRWPTSIL) peptide Deposited 2012-03-09	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：PDZ domain (UNP residues 284-370)	Not recorded	GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；30% w/v PEG8000, 0.15 M sodium chloride, 0.1 M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.40 Å R-free 0.198
4JOE CFTR Associated Ligand (CAL) PDZ domain bound to peptide A-iCAL36 (ANSRAPTSII) Deposited 2013-03-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：CAL PDZ domain	Not recorded	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；31% (w/v) polyethylene glycol (PEG) 3350, 0.05 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.14 Å R-free 0.195
4JOE CFTR Associated Ligand (CAL) PDZ domain bound to peptide A-iCAL36 (ANSRAPTSII) Deposited 2013-03-18	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：CAL PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；31% (w/v) polyethylene glycol (PEG) 3350, 0.05 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.14 Å R-free 0.195
4JOF CFTR Associated Ligand (CAL) PDZ domain bound to peptide L-iCAL36 (ANSRLPTSII) Deposited 2013-03-18	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：CAL PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.95；291 K；36% (w/v) polyethylene glycol (PEG)8000, 0.2 M sodium chloride, 0.01 M tris(hydroxymethyl)aminomethane (Tris) hydrochloride (HCl), pH 7.95, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.20 Å R-free 0.201
4JOF CFTR Associated Ligand (CAL) PDZ domain bound to peptide L-iCAL36 (ANSRLPTSII) Deposited 2013-03-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：CAL PDZ domain	Not recorded	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.95；291 K；36% (w/v) polyethylene glycol (PEG)8000, 0.2 M sodium chloride, 0.01 M tris(hydroxymethyl)aminomethane (Tris) hydrochloride (HCl), pH 7.95, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.20 Å R-free 0.201
4JOG CFTR Associated Ligand (CAL) PDZ domain bound to peptide V-iCAL36 (ANSRVPTSII) Deposited 2013-03-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：CAL PDZ domain	Not recorded	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；40% (w/v) polyethylene glycol (PEG), 0.2 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.47 Å R-free 0.195
4JOG CFTR Associated Ligand (CAL) PDZ domain bound to peptide V-iCAL36 (ANSRVPTSII) Deposited 2013-03-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：CAL PDZ domain	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；40% (w/v) polyethylene glycol (PEG), 0.2 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.47 Å R-free 0.195
4JOH CFTR Associated Ligand (CAL) PDZ domain bound to peptide H-iCAL36 (ANSRHPTSII) Deposited 2013-03-18	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：CAL PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；35% (w/v) polyethylene glycol (PEG), 0.15 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.47 Å R-free 0.204
4JOH CFTR Associated Ligand (CAL) PDZ domain bound to peptide H-iCAL36 (ANSRHPTSII) Deposited 2013-03-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：CAL PDZ domain	Not recorded	GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；35% (w/v) polyethylene glycol (PEG), 0.15 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.47 Å R-free 0.204
4JOJ CFTR Associated Ligand (CAL) domain bound to peptide F-iCAL36 (ANSRFPTSII) Deposited 2013-03-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：CAL PDZ domain	Not recorded	GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；34% (w/v) polyethylene glycol (PEG), 0.15 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.20 Å R-free 0.188
4JOJ CFTR Associated Ligand (CAL) domain bound to peptide F-iCAL36 (ANSRFPTSII) Deposited 2013-03-18	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：CAL PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；34% (w/v) polyethylene glycol (PEG), 0.15 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.20 Å R-free 0.188
4JOK CFTR Associated Ligand (CAL) PDZ domain bound to peptide Y-iCAL36 (ANSRYPTSII) Deposited 2013-03-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：CAL PDZ domain	Not recorded	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；34% (w/v) polyethylene glycol (PEG), 0.05 M sodium chloride, 0.1 M Tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.09 Å R-free 0.186
4JOK CFTR Associated Ligand (CAL) PDZ domain bound to peptide Y-iCAL36 (ANSRYPTSII) Deposited 2013-03-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：CAL PDZ domain	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；34% (w/v) polyethylene glycol (PEG), 0.05 M sodium chloride, 0.1 M Tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.09 Å R-free 0.186
4JOP CFTR Associated Ligand (CAL) PDZ bound to HPV16 E6 oncoprotein C-terminal peptide (TRRETQL) Deposited 2013-03-18	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：CAl PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；32% (w/v) polyethylene glycol (PEG), 0.125 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.80 Å R-free 0.219
4JOP CFTR Associated Ligand (CAL) PDZ bound to HPV16 E6 oncoprotein C-terminal peptide (TRRETQL) Deposited 2013-03-18	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：CAl PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；32% (w/v) polyethylene glycol (PEG), 0.125 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.80 Å R-free 0.219
4JOR CFTR Associated Ligand (CAL) PDZ domain bound to HPV18 E6 oncoprotein C-terminal peptide (RLQRRRETQV) Deposited 2013-03-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：CAL PDZ domain	Not recorded	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；29% (w/v) polyethylene glycol (PEG), 0.075 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.34 Å R-free 0.181
4JOR CFTR Associated Ligand (CAL) PDZ domain bound to HPV18 E6 oncoprotein C-terminal peptide (RLQRRRETQV) Deposited 2013-03-18	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：CAL PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；29% (w/v) polyethylene glycol (PEG), 0.075 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.34 Å R-free 0.181
4K6Y CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36-Q (ANSRWQTSII) Deposited 2013-04-16	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：PDZ domain	Not recorded	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；35% (w/v) polyethylene glycol, 0.1 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.48 Å R-free 0.209
4K6Y CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36-Q (ANSRWQTSII) Deposited 2013-04-16	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；35% (w/v) polyethylene glycol, 0.1 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.48 Å R-free 0.209
4K72 CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36-VQD (ANSRVQDSII) Deposited 2013-04-16	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；40% (w/v) polyethylene glycol (PEG) 1000, 0.1 M sodium thiosulfate pentahydrate, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.90 Å R-free 0.227
4K72 CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36-VQD (ANSRVQDSII) Deposited 2013-04-16	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；40% (w/v) polyethylene glycol (PEG) 1000, 0.1 M sodium thiosulfate pentahydrate, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.90 Å R-free 0.227
4K75 CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36-QDTRL (ANSRWQDTRL) Deposited 2013-04-16	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：PDZ domain	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；40% (w/v) polyethylene glycol (PEG) 1000, 0.09 M sodium thiosulfate pentahydrate, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.50 Å R-free 0.221
4K76 CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36-TRL (ANSRWPTTRL) Deposited 2013-04-16	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.75 Å R-free 0.221
4K76 CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36-TRL (ANSRWPTTRL) Deposited 2013-04-16	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：PDZ domain	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.75 Å R-free 0.221
4K76 CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36-TRL (ANSRWPTTRL) Deposited 2013-04-16	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 284–370（87 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.75 Å R-free 0.221
4K76 CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36-TRL (ANSRWPTTRL) Deposited 2013-04-16	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 284–370（87 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.75 Å R-free 0.221
4K78 CFTR Associated Ligand (CAL) E317A PDZ domain bound to peptide iCAL36-QDTRL (ANSRWQDTRL) Deposited 2013-04-16	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：PDZ domain	Mutation：E317A Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；40% (w/v) polyethylene glycol (PEG), 0.9 M sodium thiosulfate pentahydrate, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.80 Å R-free 0.221
4NMO CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(Ac-K-1)(ANSRWPTS[Ac-K]I) Deposited 2013-11-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：UNP RESIDUES 284-370	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；27% (w/v) polyethylene glycol (PEG), 0.15 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.40 Å R-free 0.203
4NMO CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(Ac-K-1)(ANSRWPTS[Ac-K]I) Deposited 2013-11-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：UNP RESIDUES 284-370	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；27% (w/v) polyethylene glycol (PEG), 0.15 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.40 Å R-free 0.203
4NMP CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(Ac-K-3) (ANSRWP[Ac-K]SII) Deposited 2013-11-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：UNP RESIDUES 284-370	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；34% (w/v) polyethylene glycol (PEG) 3350, 0.1 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.30 Å R-free 0.200
4NMP CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(Ac-K-3) (ANSRWP[Ac-K]SII) Deposited 2013-11-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：UNP RESIDUES 284-370	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；34% (w/v) polyethylene glycol (PEG) 3350, 0.1 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.30 Å R-free 0.200
4NMQ CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(Ac-K-4) (ANSRW[Ac-K]TSII) Deposited 2013-11-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：UNP RESIDUES 284-370	Not recorded	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；40% (w/v) polyethylene glycol (PEG), 0.15 M sodium chloride, 0.1 tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.40 Å R-free 0.199
4NMQ CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(Ac-K-4) (ANSRW[Ac-K]TSII) Deposited 2013-11-15	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：UNP RESIDUES 284-370	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；40% (w/v) polyethylene glycol (PEG), 0.15 M sodium chloride, 0.1 tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.40 Å R-free 0.199
4NMR CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(Ac-K-5) (ANSR[Ac-K]PTSII) Deposited 2013-11-15	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：UNP RESIDUES 284-370	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；31% (w/v) polyethylene glycol (PEG), 0.15 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris) pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 100.0K	Resolution 1.55 Å R-free 0.219
4NMR CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(Ac-K-5) (ANSR[Ac-K]PTSII) Deposited 2013-11-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：UNP RESIDUES 284-370	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；31% (w/v) polyethylene glycol (PEG), 0.15 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris) pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 100.0K	Resolution 1.55 Å R-free 0.219
4NMS CFTR Associated Ligand (CAL)PDZ domain bound to peptide iCAL36(FLB-K-1) (ANSRWPTS[4-fluorobenzoic-acyl-K]I) Deposited 2013-11-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：UNP RESIDUES 284-370	Not recorded	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；33% (w/v) polyethylene glycol, 0.2 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.70 Å R-free 0.207
4NMS CFTR Associated Ligand (CAL)PDZ domain bound to peptide iCAL36(FLB-K-1) (ANSRWPTS[4-fluorobenzoic-acyl-K]I) Deposited 2013-11-15	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：UNP RESIDUES 284-370	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；33% (w/v) polyethylene glycol, 0.2 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.70 Å R-free 0.207
4NMT CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(TFA-K-1) (ANSRWPTS[Tfa-acyl-K]I) Deposited 2013-11-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：UNP RESIDUES 284-370	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；33% (w/v) polyethylene glycol (PEG), 0.2 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.40 Å R-free 0.198
4NMT CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(TFA-K-1) (ANSRWPTS[Tfa-acyl-K]I) Deposited 2013-11-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：UNP RESIDUES 284-370	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；33% (w/v) polyethylene glycol (PEG), 0.2 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.40 Å R-free 0.198
4NMV CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(BRB-K-1) (ANSRWPTS[4-bromobenzoic-acyl-K]I) Deposited 2013-11-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：UNP RESIDUES 284-370	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；31% (w/v) polyethylene glycol (PEG), 0.1 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.40 Å R-free 0.202
4NMV CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(BRB-K-1) (ANSRWPTS[4-bromobenzoic-acyl-K]I) Deposited 2013-11-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：UNP RESIDUES 284-370	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；31% (w/v) polyethylene glycol (PEG), 0.1 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.40 Å R-free 0.202
4Q6H CFTR Associated Ligand (CAL) bound to last 6 residues of CFTR (decameric peptide: iCAL36VQDTRL) Deposited 2014-04-22	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa）	Not recorded	SO3 SULFITE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；37% (w/v) polyethylene glycol (PEG) 1000, 0.07 M sodium thiosulfate pentahydrate, 0.1 M Tris pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.90 Å R-free 0.222
4Q6S CFTR Associated Ligand (CAL) PDZ bound to biotinylated peptide BT-L-iCAL36 Deposited 2014-04-23	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：unp residues 284-370	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.95；291 K；16% (w/v) polyethylene glycol (PEG), 0.15 M sodium chloride, 0.01 M Tris HCl pH 7.95, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.45 Å R-free 0.195
4Q6S CFTR Associated Ligand (CAL) PDZ bound to biotinylated peptide BT-L-iCAL36 Deposited 2014-04-23	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：unp residues 284-370	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.95；291 K；16% (w/v) polyethylene glycol (PEG), 0.15 M sodium chloride, 0.01 M Tris HCl pH 7.95, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.45 Å R-free 0.195
5IC3 CAL PDZ domain with peptide and inhibitor Deposited 2016-02-22	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa） Fragment：UNP residues 284-370	Not recorded	PQR 4-[methyl(nitroso)amino]benzene-1,2-diol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；291 K；35% PEG3350, 100mM NaCl, 100mM Tris pH7.4	Resolution 1.70 Å R-free 0.226
5IC3 CAL PDZ domain with peptide and inhibitor Deposited 2016-02-22	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa） Fragment：UNP residues 284-370	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；291 K；35% PEG3350, 100mM NaCl, 100mM Tris pH7.4	Resolution 1.70 Å R-free 0.226
6OV7 CFTR Associated Ligand (CAL) PDZ domain bound to peptide kCAL01 Deposited 2019-05-07	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；6 mg/mL CAL PDZ, 1 mM kCAL01 peptide, 25% (w/v) PEG 8000, 5% PEG 400, 150 mM NaCl, and 100 mM Tris pH 8.5	Resolution 1.71 Å R-free 0.214
6OV7 CFTR Associated Ligand (CAL) PDZ domain bound to peptide kCAL01 Deposited 2019-05-07	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；6 mg/mL CAL PDZ, 1 mM kCAL01 peptide, 25% (w/v) PEG 8000, 5% PEG 400, 150 mM NaCl, and 100 mM Tris pH 8.5	Resolution 1.71 Å R-free 0.214
6V84 CFTR Associated Ligand (CAL) PDZ domain bound to peptidomimetic LyCALAc Deposited 2019-12-10	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa）	Not recorded	GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5.5 mg/mL CAL PDZ, 1 mM LyCALAc peptide, 35% (w/v) PEG 8000, 150 mM NaCl, 100 mM Tris pH 7.5	Resolution 1.64 Å R-free 0.213
6V84 CFTR Associated Ligand (CAL) PDZ domain bound to peptidomimetic LyCALAc Deposited 2019-12-10	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa）	Not recorded	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5.5 mg/mL CAL PDZ, 1 mM LyCALAc peptide, 35% (w/v) PEG 8000, 150 mM NaCl, 100 mM Tris pH 7.5	Resolution 1.64 Å R-free 0.213
6XNJ Crystal structure of the PDZ domain of human GOPC in complex with a peptide of E. coli O157:H7 str. Sakai effector NleG8 Deposited 2020-07-03	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 272–362（91 aa）	Not recorded	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；1.5 M ammonium sulfate, 15% sucrose, 0.1 M Hepes pH 7.5, 2 mM peptide	Resolution 1.85 Å R-free 0.195
7JZO CFTR Associated Ligand (CAL) PDZ domain bound to peptidomimetic LyCALTPP Deposited 2020-09-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa）	Not recorded	GOL GLYCEROL × 2 QTU 3-(thiophen-2-yl)propanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；291 K；5.36 mg/mL CAL PDZ, 1 mM LyCALTPP, 31% (w/v) PEG 8000, 150 mM NaCl, 100 mM Tris pH 7.4	Resolution 1.61 Å R-free 0.205
7JZO CFTR Associated Ligand (CAL) PDZ domain bound to peptidomimetic LyCALTPP Deposited 2020-09-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa）	Not recorded	QTU 3-(thiophen-2-yl)propanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；291 K；5.36 mg/mL CAL PDZ, 1 mM LyCALTPP, 31% (w/v) PEG 8000, 150 mM NaCl, 100 mM Tris pH 7.4	Resolution 1.61 Å R-free 0.205
7JZP CFTR Associated Ligand (CAL) PDZ domain bound to peptidomimetic LyCALBF Deposited 2020-09-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa）	Not recorded	BZ2 1-benzofuran-2-carboxylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；291 K；5.36 mg/mL CAL PDZ, 1 mM LyCALBF, 31% (w/v) PEG 8000, 200 mM NaCl, 100 mM Tris pH 7.4	Resolution 1.95 Å R-free 0.217
7JZP CFTR Associated Ligand (CAL) PDZ domain bound to peptidomimetic LyCALBF Deposited 2020-09-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa）	Not recorded	BZ2 1-benzofuran-2-carboxylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；291 K；5.36 mg/mL CAL PDZ, 1 mM LyCALBF, 31% (w/v) PEG 8000, 200 mM NaCl, 100 mM Tris pH 7.4	Resolution 1.95 Å R-free 0.217
7JZQ CFTR Associated Ligand (CAL) PDZ domain bound to peptidomimetic LyCALPMB Deposited 2020-09-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa）	Not recorded	VU1 4-[(piperidin-1-yl)methyl]benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；291 K；5.36 mg/mL CAL PDZ, 1 mM LyCALTPP, 31% (w/v) PEG 8000, 150 mM NaCl, 100 mM Tris pH 7.4	Resolution 1.35 Å R-free 0.185
7JZR CFTR Associated Ligand (CAL) PDZ domain bound to peptidomimetic LyCALAEB Deposited 2020-09-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 284–370（87 aa）	Not recorded	VU4 4-(2-aminoethyl)benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；5.5 mg/mL CAL PDZ, 1 mM LyCALAEB, 30% (w/v) PEG 8000, 100 mM NaCl, 100 mM Tris pH 8.5	Resolution 1.54 Å R-free 0.208
7JZR CFTR Associated Ligand (CAL) PDZ domain bound to peptidomimetic LyCALAEB Deposited 2020-09-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 284–370（87 aa）	Not recorded	VU4 4-(2-aminoethyl)benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；5.5 mg/mL CAL PDZ, 1 mM LyCALAEB, 30% (w/v) PEG 8000, 100 mM NaCl, 100 mM Tris pH 8.5	Resolution 1.54 Å R-free 0.208

34 other PDB entries and 63 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	GOPC_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–87； UniProt 284–370 Author chain B； PDBConstruct 1–87； UniProt 284–370

HPV18E6 peptide

OrganismNot specified

UniProt P06463

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain C； UniProt 149–158	Fragment：UNP residues 149-158	Golgi-associated PDZ and coiled-coil motif-containing protein × 1 （Q9HD26）	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；31% PEG3350, 125mM NaCl, 0.1M Tris7.5	Resolution 1.36 Å R-free 0.183
2	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain D； UniProt 149–158	Fragment：UNP residues 149-158	Golgi-associated PDZ and coiled-coil motif-containing protein × 1 （Q9HD26）	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；31% PEG3350, 125mM NaCl, 0.1M Tris7.5	Resolution 1.36 Å R-free 0.183

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 5K4F	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2I04 X-ray crystal structure of MAGI-1 PDZ1 bound to the C-terminal peptide of HPV18 E6 Deposited 2006-08-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 152–158（7 aa） Chain D 152–158（7 aa）	Not recorded	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；291 K；PEG2000, 0.1 M Na Acetate , pH 4.6, VAPOR DIFFUSION, temperature 291K	Resolution 2.15 Å R-free 0.269
2I0I X-ray crystal structure of Sap97 PDZ3 bound to the C-terminal peptide of HPV18 E6 Deposited 2006-08-10	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 152–158（7 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；291 K；PEG4000, 0.1M MES, pH 6.5, VAPOR DIFFUSION, temperature 291K	Resolution 2.80 Å R-free 0.289
2I0I X-ray crystal structure of Sap97 PDZ3 bound to the C-terminal peptide of HPV18 E6 Deposited 2006-08-10	Different construct Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 152–158（7 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；291 K；PEG4000, 0.1M MES, pH 6.5, VAPOR DIFFUSION, temperature 291K	Resolution 2.80 Å R-free 0.289
2I0I X-ray crystal structure of Sap97 PDZ3 bound to the C-terminal peptide of HPV18 E6 Deposited 2006-08-10	Different construct Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain F 152–158（7 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；291 K；PEG4000, 0.1M MES, pH 6.5, VAPOR DIFFUSION, temperature 291K	Resolution 2.80 Å R-free 0.289
2I0L X-ray crystal structure of Sap97 PDZ2 bound to the C-terminal peptide of HPV18 E6. Deposited 2006-08-10	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 152–158（7 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；2M Ammonium Sulfate, 0.1M sodium citrate, pH 8.0, VAPOR DIFFUSION, temperature 291K	Resolution 2.31 Å R-free 0.302
2I0L X-ray crystal structure of Sap97 PDZ2 bound to the C-terminal peptide of HPV18 E6. Deposited 2006-08-10	Different construct Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 152–158（7 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；2M Ammonium Sulfate, 0.1M sodium citrate, pH 8.0, VAPOR DIFFUSION, temperature 291K	Resolution 2.31 Å R-free 0.302
4JOR CFTR Associated Ligand (CAL) PDZ domain bound to HPV18 E6 oncoprotein C-terminal peptide (RLQRRRETQV) Deposited 2013-03-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 149–158（10 aa） Fragment：HPV18 E6 peptide	Not recorded	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；29% (w/v) polyethylene glycol (PEG), 0.075 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.34 Å R-free 0.181
4JOR CFTR Associated Ligand (CAL) PDZ domain bound to HPV18 E6 oncoprotein C-terminal peptide (RLQRRRETQV) Deposited 2013-03-18	Different construct Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 149–158（10 aa） Fragment：HPV18 E6 peptide	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；29% (w/v) polyethylene glycol (PEG), 0.075 M sodium chloride, 0.1 M tris(hydroxymethyl)aminomethane (Tris), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.34 Å R-free 0.181
6SJV Structure of HPV18 E6 oncoprotein in complex with mutant E6AP LxxLL motif Deposited 2019-08-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–152（152 aa）	Mutation：;K84A,K240A,E360A,K363A,D364A,F1049R,L2386F,E2393R,K84A,K240A,E360A,K363A,D364A,F1049R,L2386F,E2393R,K84A,K240A,E360A,K363A,D364A,F1049R,L2386F,E2393R ;	ZN ZINC ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 6.5；298 K；Sodium Cacodylate 100 mM pH 6.5, PEG 8000 5%, 2-methyl-2,4-pentanediol 40%	Resolution 2.03 Å R-free 0.242
6ZFD 14-3-3 zeta bound to the phosphorylated 18E6 C-terminus Deposited 2020-06-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 152–158（7 aa） Chain B 152–158（7 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；19% PEG4000, 0.1M cacodylate, 20%glycerol as a cryoprotectant	Resolution 1.90 Å R-free 0.207
6ZFG 14-3-3 zeta chimera with 18E6 and fusicoccin Deposited 2020-06-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 152–158（7 aa） Chain B 152–158（7 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	GOL GLYCEROL × 1 FSC FUSICOCCIN × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；19% PEG4000, 0.1M cacodylate, 20%glycerol as a cryoprotectant	Resolution 1.85 Å R-free 0.219
8B82 Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide Deposited 2022-10-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 149–158（10 aa） Chain D 149–158（10 aa）	Not recorded	CL CHLORIDE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；15% PEG 4000, 0.05 M Ammonium Sulfate	Resolution 2.80 Å R-free 0.278
8OEP Crystal structure of the PTPN3 PDZ domain bound to the HPV18 E6 oncoprotein C-terminal peptide Deposited 2023-03-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 146–158（13 aa）	Not recorded	NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；20% w/v PEG 3350, 0.2 M NaI at pH 7;	Resolution 1.87 Å R-free 0.249
8OEP Crystal structure of the PTPN3 PDZ domain bound to the HPV18 E6 oncoprotein C-terminal peptide Deposited 2023-03-11	Different construct Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 146–158（13 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；20% w/v PEG 3350, 0.2 M NaI at pH 7;	Resolution 1.87 Å R-free 0.249

9 other PDB entries and 14 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	VE6_HPV18
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain C； PDBConstruct 1–10； UniProt 149–158 Author chain D； PDBConstruct 1–10； UniProt 149–158

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	5k4f
Deposition date deposition_date	2016-05-20
Structure title title	CAL PDZ mutant C319A with a peptide
Keywords keywords	CAL PDZ mutant, C319A, PEPTIDE BINDING PROTEIN; PEPTIDE BINDING PROTEIN
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	18.20 Å
Radius of gyration Rg (electron density) rg_electron	17.20 Å
Forward intensity I(0) i0	7353720.00
Molecular weight molecular_weight	19873.0 kDa
Excluded volume excluded_volume	24963 Å³
Envelope volume envelope_volume	28862 Å³
Hydration-shell volume shell_volume	14624 Å³
Envelope diameter envelope_diameter	58.8 Å
Shell Rg shell_rg	22.46 Å
Envelope Rg envelope_rg	17.34 Å
Shape Rg shape_rg	17.21 Å
Total Rg total_rg	18.07 Å
Total atoms total_atoms	1402
Residues n_residues	184
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	60.1 Å
Rg (real space) rg_real	18.18 Å
Rg uncertainty (real space) rg_real_error	0.46 Å
I(0) (real space) i0_real	7.3540e+06
I(0) uncertainty (real space) i0_real_error	1.0090e+05
Rg (reciprocal space) rg_reciprocal	18.18 Å
I(0) (reciprocal space) i0_reciprocal	7354000.0000
Solution quality estimate total_estimate	0.8826
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	20.3 Å
Skewness Skewness skewness	0.324
Kurtosis Kurtosis kurtosis	-0.357
Angular range angular_range	— – 0.4350 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	1323000.0000
Real-space data points n_real_points	75
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.826; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.994

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	Golgi-associated PDZ and coiled-coil motif-containing protein
Molecular weight formula_weight	9321.7 kDa
Mutation mutation	C319A
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	1750

GPIRKVLLLKEDHEGLGISITGGKEHGVPILISEIHPGQPADRAGGLHVGDAILAVNGVNLRDTKHKEAVTILSQQRGEIEFEVVYV

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	Human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	HPV18E6 peptide
Molecular weight formula_weight	1345.6 kDa
Source method src_method	syn
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C,D

RLQRRRETQV

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	143

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7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id	5k4fA00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	42 — Pdz3 Domain
Homologous superfamily homologous superfamily	10 — PDZ domain

Domain ID domain_id	5k4fB00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	42 — Pdz3 Domain
Homologous superfamily homologous superfamily	10 — PDZ domain

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8. Citations (1)

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Unit-cell length a length_a	32.730 Å
Unit-cell length b length_b	48.276 Å
Unit-cell length c length_c	51.435 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	101.76 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	1.360 Å
Low-resolution limit resolution_low	18.791 Å
R factor r_factor	0.1552
R_work r_work	0.1536
R_free r_free	0.1833

fit	/app/data/saxs_computation/k4/5k4f/5k4f.fit
pddf	/app/data/pr_computation/k4/5k4f/5k4f.pr.out
profile	/app/data/saxs_computation/k4/5k4f/5k4f.dat

CAL PDZ mutant C319A with a peptide

1. Protein Identity and Related Structures Protein Identity & Related Structures

Golgi-associated PDZ and coiled-coil motif-containing protein

State in the Current Structure

Other States of the Same Protein in the Database

HPV18E6 peptide

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 water

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)