← Back to search
5j7j

NMR Derived Structure of Ca2+ Calmodulin bound to Phosphorylated PSD-95

Method: SOLUTION NMR Dmax: 50.6 Å Quality: GOOD
▼

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

Calmodulin

Xenopus laevis

UniProt P62155

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 2–149 Not recorded Disks large homolog 4 × 1 （P78352） CA CALCIUM ION × 4 SOLUTION NMR NMR measurement conditions：pH 7；318 K；Ionic strength (raw mmCIF value) 50；Pressure 1 NMR sample composition：500 uM [U-100% 13C; U-100% 15N] Calmodulin, 750 uM PSD-95 phosphorylated, 90% H2O/10% D2O | 90% H2O/10% D2O Resolution not provided

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 5J7J Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1CFC CALCIUM-FREE CALMODULIN Deposited 1995-08-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–148（148 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
1CFD CALCIUM-FREE CALMODULIN Deposited 1995-10-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–148（148 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
1CFF NMR SOLUTION STRUCTURE OF A COMPLEX OF CALMODULIN WITH A BINDING PEPTIDE OF THE CA2+-PUMP Deposited 1999-03-18 Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–149（148 aa）
Not recorded CA CALCIUM ION × 4 SOLUTION NMR
NMR measurement conditions pH 6.5；303 K；Ionic strength (raw mmCIF value) 0.115；Pressure 1
NMR sample composition 90% H2O/10% D2O, 100% D2O
Resolution not provided
1DMO CALMODULIN, NMR, 30 STRUCTURES Deposited 1996-04-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–148（148 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
1F70 REFINED SOLUTION STRUCTURE OF CALMODULIN N-TERMINAL DOMAIN Deposited 2000-06-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–76（75 aa） Fragment：N-TERMINAL DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 100 mM KCL；Pressure ambient
NMR sample composition 1 mM Calmodulin U-15N,13C; 5 mM Hepe buffer, 100 mM KCL | 90% H2O/10% D2O
NMR sample composition 1 mM Calmodulin U-15N,13C; 5 mM Hepe buffer, 100 mM KCL; 21 mg/ml filamentous phage Pf1 | 90% H2O/10% D2O
Resolution not provided
1F71 REFINED SOLUTION STRUCTURE OF CALMODULIN C-TERMINAL DOMAIN Deposited 2000-06-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 83–149（67 aa） Fragment：C-TERMINAL DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 100mM KCl；Pressure ambient
NMR sample composition 1 mM Calmodulin U-15N,13C; 5 mM Hepes buffer, 100 mM KCl | 90% H2O/10% D2O
NMR sample composition 1 mM Calmodulin U-15N,13C; 5 mM Hepes buffer, 100 mM KCl; 21 mg/ml filamentous phage pf1 | 90% H2O/10% D2O
Resolution not provided
1IQ5 Calmodulin/nematode CA2+/Calmodulin dependent kinase kinase fragment Deposited 2001-06-14 Different construct Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–149（149 aa）
Not recorded CA CALCIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；ammonium sulfate, citratet, sodium tartrae, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.248
1MUX SOLUTION NMR STRUCTURE OF CALMODULIN/W-7 COMPLEX: THE BASIS OF DIVERSITY IN MOLECULAR RECOGNITION, 30 STRUCTURES Deposited 1997-09-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–148（148 aa）
Not recorded CA CALCIUM ION × 4 WW7 N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE × 2 SOLUTION NMR
NMR measurement conditions pH 6.8；308 K；Ionic strength (raw mmCIF value) KCL, 100mM；Pressure 1
Resolution not provided
1NWD Solution Structure of Ca2+/Calmodulin bound to the C-terminal Domain of Petunia Glutamate Decarboxylase Deposited 2003-02-06 Different construct Different oligomeric state Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–148（148 aa）
Not recorded CA CALCIUM ION × 4 SOLUTION NMR
NMR measurement conditions pH 6.3；308 K；Ionic strength (raw mmCIF value) 100 mM KCl, 10 mM CaCl2
NMR sample composition 1 mM Calmodulin; 2.2 mM GAD | 91% H2O, 9% D2O
Resolution not provided
1SY9 Structure of calmodulin complexed with a fragment of the olfactory CNG channel Deposited 2004-04-01 Different construct Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–148（148 aa）
Not recorded CA CALCIUM ION × 4 SOLUTION NMR
NMR measurement conditions pH 6.7；308 K
NMR measurement conditions pH 6.7；308 K
NMR sample composition 1.2 mM complex U-15N,13C, 6 mM CaCl2, 140 mM KCl, D2O | D2O
NMR sample composition 1.2 mM complex U-15N,13C, 6 mM CaCl2, 140 mM KCl, 90% H2O, 10% D2O | 90% H2O/10% D2O
Resolution not provided
1X02 Solution structure of stereo array isotope labeled (SAIL) calmodulin Deposited 2005-03-11 Different construct Different oligomeric state Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–148（148 aa）
Not recorded CA CALCIUM ION × 4 SOLUTION NMR
NMR measurement conditions pH 6.5；310 K；Pressure AMBIENT
NMR sample composition 0.7mM SAIL calmodulin, 5mM MES-d13, 10mM bis-Tris-d19, 5mM CaCl2, 0.1mM NaN3 | 90% H2O/10% D2O
Resolution not provided
1Y0V Crystal structure of anthrax edema factor (EF) in complex with calmodulin and pyrophosphate Deposited 2004-11-16 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 5–148（144 aa）
Not recorded MG MAGNESIUM ION × 1 POP PYROPHOSPHATE 2- × 1 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；277 K；PEG400, MgCl2, Tris-HCl, pH 8.5, VAPOR DIFFUSION, temperature 277K
Resolution 3.60 Å R-free 0.307
1Y0V Crystal structure of anthrax edema factor (EF) in complex with calmodulin and pyrophosphate Deposited 2004-11-16 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain I 5–148（144 aa）
Not recorded MG MAGNESIUM ION × 1 POP PYROPHOSPHATE 2- × 1 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；277 K；PEG400, MgCl2, Tris-HCl, pH 8.5, VAPOR DIFFUSION, temperature 277K
Resolution 3.60 Å R-free 0.307
1Y0V Crystal structure of anthrax edema factor (EF) in complex with calmodulin and pyrophosphate Deposited 2004-11-16 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain J 5–148（144 aa）
Not recorded MG MAGNESIUM ION × 1 POP PYROPHOSPHATE 2- × 1 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；277 K；PEG400, MgCl2, Tris-HCl, pH 8.5, VAPOR DIFFUSION, temperature 277K
Resolution 3.60 Å R-free 0.307
1Y0V Crystal structure of anthrax edema factor (EF) in complex with calmodulin and pyrophosphate Deposited 2004-11-16 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain K 5–148（144 aa）
Not recorded MG MAGNESIUM ION × 1 POP PYROPHOSPHATE 2- × 1 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；277 K；PEG400, MgCl2, Tris-HCl, pH 8.5, VAPOR DIFFUSION, temperature 277K
Resolution 3.60 Å R-free 0.307
1Y0V Crystal structure of anthrax edema factor (EF) in complex with calmodulin and pyrophosphate Deposited 2004-11-16 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain L 5–148（144 aa）
Not recorded MG MAGNESIUM ION × 1 POP PYROPHOSPHATE 2- × 1 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；277 K；PEG400, MgCl2, Tris-HCl, pH 8.5, VAPOR DIFFUSION, temperature 277K
Resolution 3.60 Å R-free 0.307
1Y0V Crystal structure of anthrax edema factor (EF) in complex with calmodulin and pyrophosphate Deposited 2004-11-16 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain M 5–148（144 aa）
Not recorded MG MAGNESIUM ION × 1 POP PYROPHOSPHATE 2- × 1 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；277 K；PEG400, MgCl2, Tris-HCl, pH 8.5, VAPOR DIFFUSION, temperature 277K
Resolution 3.60 Å R-free 0.307
2COL Crystal structure analysis of CyaA/C-Cam with Pyrophosphate Deposited 2005-05-18 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 79–145（67 aa）
Not recorded MG MAGNESIUM ION × 2 POP PYROPHOSPHATE 2- × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；278 K；PEG4000, Na Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.20 Å R-free 0.293
2I08 Solvation effect in conformational changes of EF-hand proteins: X-ray structure of Ca2+-saturated double mutant Q41L-K75I of N-domain of calmodulin Deposited 2006-08-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–78（78 aa） Fragment：N-DOMAIN OF CALMODULIN
Mutation：F19Y, Q41L, K75I, A1M, D78Y CA CALCIUM ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；294 K；36% (v/v) PEG 400, 100 mM HEPES, 200 mM CaCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.00 Å R-free 0.243
2K3S HADDOCK-derived structure of the CH-domain of the smoothelin-like 1 complexed with the C-domain of apocalmodulin Deposited 2008-05-15 Different construct Different ligand/ion Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 83–149（67 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；293 K；Ionic strength (raw mmCIF value) 0；Pressure ambient
NMR sample composition 0.5 mM [U-100% 15N] entity_1, 0.6 mM calmodulin (full length), 20 mM Bis-Tris, 0.5 mM DSS, 10 mM [U-2H] DTT, 0.03 % sodium azide, 1 mM EDTA, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.6 mM entity_1, 0.5 mM [U-100% 15N] calmodulin (full length), 20 mM Bis-Tris, 0.5 mM DSS, 10 mM [U-2H] DTT, 0.03 % sodium azide, 1 mM EDTA, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2KDU Structural basis of the Munc13-1/Ca2+-Calmodulin interaction: A novel 1-26 calmodulin binding motif with a bipartite binding mode Deposited 2009-01-19 Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–149（148 aa）
Not recorded CA CALCIUM ION × 4 SOLUTION NMR
NMR measurement conditions pH 6.8；308 K
NMR sample composition 10 mM calcium, 1.5 mM [U-99% 13C; U-99% 15N] calmodulin, 1.8 mM Munc13-1, 150 mM potassium chloride, 20 mM BIS-TRIS, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 10 mM calcium, 0.5 mM [U-99% 13C; U-99% 15N] Munc13-1, 0.6 mM calmodulin, 150 mM potassium chloride, 20 mM BIS-TRIS, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 10 mM calcium, 1.5 mM [U-99% 13C; U-99% 15N] calmodulin, 1.8 mM Munc13, 150 mM potassium chloride, 20 mM BIS-TRIS, 100% D2O | 100% D2O
Resolution not provided
2LLO Solution NMR-derived structure of calmodulin N-lobe bound with ER alpha peptide Deposited 2011-11-15 Different construct Different ligand/ion Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–81（80 aa） Fragment：EF-hand domains 1 and 2, residues 2-81
Not recorded CA CALCIUM ION × 2 SOLUTION NMR
NMR measurement conditions pH 7；310 K；Ionic strength (raw mmCIF value) 0.02；Pressure ambient
NMR sample composition 1 mM [U-100% 13C; U-100% 15N] TRIS, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2LLQ Solution nmr-derived structure of calmodulin c-lobe bound with er alpha peptide Deposited 2011-11-15 Different construct Different ligand/ion Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 83–149（67 aa） Fragment：EF-hand domains 3 and 4, residues 83-149
Not recorded CA CALCIUM ION × 2 SOLUTION NMR
NMR measurement conditions pH 7；310 K；Ionic strength (raw mmCIF value) 0.02；Pressure ambient
NMR sample composition 1 mM [U-100% 13C; U-100% 15N] protein, 93% H2O/7% D2O | 93% H2O/7% D2O
Resolution not provided
2MES Backbone 1H, 13C, 15N resonance assignments of calcium-bound calmodulin in complex with PSD95 N-terminal peptide Deposited 2013-09-26 Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–149（148 aa）
Not recorded CA CALCIUM ION × 4 SOLUTION NMR
NMR measurement conditions pH 7；310 K；Ionic strength (raw mmCIF value) 0.1；Pressure ambient
NMR sample composition 400 uM [U-99% 13C; U-99% 15N] Calmodulin, PSD95NT, DTT, Tris, CaCl2, 600 uM PSD95_N-terminal_peptide, 20 mM Tris-d11, 50 mM NaCl, 5 mM CaCl2, 5 mM DTT-d, 93 % H2O, 7 % D2O, 93% H2O/7% D2O | 93% H2O/7% D2O
Resolution not provided
2RRT Solution structure of Magnesium-bound form of calmodulin C-domain E104D/E140D mutant Deposited 2011-04-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 79–149（71 aa） Fragment：C-terminal domain, UNP residues 79-149
Mutation：E28D, E64D No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；323 K；Ionic strength (raw mmCIF value) 0.5；Pressure ambient
NMR sample composition 10 mM [U-2H] MES-1, 100 mM potassium chloride-2, 100 mM magnesium chloride-3, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
4R8G Crystal Structure of Myosin-1c tail in complex with Calmodulin Deposited 2014-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 2–149（148 aa）
Chain B 2–149（148 aa）
Chain H 2–149（148 aa）
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；289.3 K；2.0M ammonium sulfate, 5% 1,4-dioxane, MES pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289.3K
Resolution 3.50 Å R-free 0.304
5T0X Solution NMR-derived structure of calmodulin bound with ER alpha peptides Deposited 2016-08-16 Different oligomeric state Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–149（148 aa）
Not recorded CA CALCIUM ION × 4 SOLUTION NMR
NMR measurement conditions pH 7；310 K；Ionic strength (raw mmCIF value) 50；Pressure 1
NMR sample composition 1 mM [U-99% 15N] 15N-labeled CaM/ERalpha | 90% H2O/10% D2O
NMR sample composition 1 mM [U-99% 13C; U-99% 15N] 13C/15N-CaM/ERalpha | 90% H2O/10% D2O
NMR sample composition 1 mM [U-99% 13C; U-99% 15N] 13C/15N-CaM/ERalpha | 100% D2O
Resolution not provided

22 other PDB entries and 27 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CALM_XENLA
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–148； UniProt 2–149

Disks large homolog 4

OrganismNot specified

UniProt P78352

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 B； UniProt 1–19 Fragment：UNP residues 1-19 Non-standard monomer：Yes (specific site not provided by mmCIF) Calmodulin × 1 （P62155） CA CALCIUM ION × 4 SOLUTION NMR NMR measurement conditions：pH 7；318 K；Ionic strength (raw mmCIF value) 50；Pressure 1 NMR sample composition：500 uM [U-100% 13C; U-100% 15N] Calmodulin, 750 uM PSD-95 phosphorylated, 90% H2O/10% D2O | 90% H2O/10% D2O Resolution not provided

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 5J7J Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1KEF PDZ1 of SAP90 Deposited 2001-11-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 105–197（93 aa） Fragment：PDZ1 domain
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.8；308 K；Ionic strength (raw mmCIF value) 150 mM NaCl；Pressure 1
NMR sample composition 1.0 mM protein, 10 mM phosphate buffer, 150 mM NaCl, pH 6.8 | 10 mM phosphate buffer, 150 mM NaCl
Resolution not provided
2MES Backbone 1H, 13C, 15N resonance assignments of calcium-bound calmodulin in complex with PSD95 N-terminal peptide Deposited 2013-09-26 Different construct Different mutation/modification Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–71（71 aa） Fragment：UNP residues 1-71
Not recorded CA CALCIUM ION × 4 SOLUTION NMR
NMR measurement conditions pH 7；310 K；Ionic strength (raw mmCIF value) 0.1；Pressure ambient
NMR sample composition 400 uM [U-99% 13C; U-99% 15N] Calmodulin, PSD95NT, DTT, Tris, CaCl2, 600 uM PSD95_N-terminal_peptide, 20 mM Tris-d11, 50 mM NaCl, 5 mM CaCl2, 5 mM DTT-d, 93 % H2O, 7 % D2O, 93% H2O/7% D2O | 93% H2O/7% D2O
Resolution not provided
3I4W Crystal Structure of the third PDZ domain of PSD-95 Deposited 2009-07-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 302–403（102 aa） Fragment：Third PDZ domain
Non-standard monomer：Yes (specific site not provided by mmCIF) ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions capillary contradiffusion；pH 4.6；298 K；0.2M ammonium sulphate, 0.1M ammonium acetate trihydrate, 25%(w/v) PEG 4000, pH 4.6, capillary contradiffusion, temperature 298K
Resolution 1.35 Å R-free 0.216
3I4W Crystal Structure of the third PDZ domain of PSD-95 Deposited 2009-07-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 302–403（102 aa） Fragment：Third PDZ domain
Non-standard monomer：Yes (specific site not provided by mmCIF) ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions capillary contradiffusion；pH 4.6；298 K；0.2M ammonium sulphate, 0.1M ammonium acetate trihydrate, 25%(w/v) PEG 4000, pH 4.6, capillary contradiffusion, temperature 298K
Resolution 1.35 Å R-free 0.216
3I4W Crystal Structure of the third PDZ domain of PSD-95 Deposited 2009-07-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 302–403（102 aa） Fragment：Third PDZ domain
Non-standard monomer：Yes (specific site not provided by mmCIF) ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions capillary contradiffusion；pH 4.6；298 K；0.2M ammonium sulphate, 0.1M ammonium acetate trihydrate, 25%(w/v) PEG 4000, pH 4.6, capillary contradiffusion, temperature 298K
Resolution 1.35 Å R-free 0.216
3I4W Crystal Structure of the third PDZ domain of PSD-95 Deposited 2009-07-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 302–403（102 aa） Fragment：Third PDZ domain
Non-standard monomer：Yes (specific site not provided by mmCIF) ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions capillary contradiffusion；pH 4.6；298 K；0.2M ammonium sulphate, 0.1M ammonium acetate trihydrate, 25%(w/v) PEG 4000, pH 4.6, capillary contradiffusion, temperature 298K
Resolution 1.35 Å R-free 0.216
3K82 Crystal Structure of the third PDZ domain of PSD-95 Deposited 2009-10-13 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 305–402（98 aa） Fragment：Third PDZ domain
Non-standard monomer：Yes (specific site not provided by mmCIF) PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；288 K；0.1M HEPES sodium pH 7.5, 0.8M sodium phosphate monobasic monohydrate, 0.8M potassium phosphate monobasic, VAPOR DIFFUSION, HANGING DROP, temperature 288K
Resolution 1.40 Å R-free 0.210
3ZRT Crystal structure of human PSD-95 PDZ1-2 Deposited 2011-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 61–249（189 aa） Fragment：PDZ1-2, REISDUES 61-249
Chain C 61–249（189 aa） Fragment：PDZ1-2, REISDUES 61-249
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.5；0.1 M SODIUM ACETATE TRIHYDRATE PH 6.0, 2.0 M SODIUM FORMATE AND 5 % PEG 4000 (DROP SIZE: 1 UL SAMPLE AND 1UL RESERVOIR SOLUTION)
Resolution 3.40 Å R-free 0.264
3ZRT Crystal structure of human PSD-95 PDZ1-2 Deposited 2011-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 61–249（189 aa） Fragment：PDZ1-2, REISDUES 61-249
Chain D 61–249（189 aa） Fragment：PDZ1-2, REISDUES 61-249
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.5；0.1 M SODIUM ACETATE TRIHYDRATE PH 6.0, 2.0 M SODIUM FORMATE AND 5 % PEG 4000 (DROP SIZE: 1 UL SAMPLE AND 1UL RESERVOIR SOLUTION)
Resolution 3.40 Å R-free 0.264
5JXB PSD-95 extended PDZ3 in complex with SynGAP PBM Deposited 2016-05-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 309–413（105 aa）
Chain C 309–413（105 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；289 K；0.1M HEPES sodium pH 7.5, 10% v/v 2-Propanol, 20% w/v Polyethylene glycol 4000
Resolution 2.90 Å R-free 0.287
6QJD Crystal Structure of the truncated form of the third PDZ domain of PSD-95: residues 302-392 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 302–393（92 aa） Fragment：PDZ domain
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6；298 K；0.2 M ammonium sulphate, 30% PEG 4000
Resolution 1.55 Å R-free 0.259
6QJD Crystal Structure of the truncated form of the third PDZ domain of PSD-95: residues 302-392 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 302–393（92 aa） Fragment：PDZ domain
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6；298 K；0.2 M ammonium sulphate, 30% PEG 4000
Resolution 1.55 Å R-free 0.259
6QJD Crystal Structure of the truncated form of the third PDZ domain of PSD-95: residues 302-392 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 302–393（92 aa） Fragment：PDZ domain
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6；298 K；0.2 M ammonium sulphate, 30% PEG 4000
Resolution 1.55 Å R-free 0.259
6QJD Crystal Structure of the truncated form of the third PDZ domain of PSD-95: residues 302-392 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 302–393（92 aa） Fragment：PDZ domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6；298 K；0.2 M ammonium sulphate, 30% PEG 4000
Resolution 1.55 Å R-free 0.259
6QJF Crystal Structure of the third PDZ domain of PSD-95 protein D332P mutant: space group C121, structure 1 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 302–403（102 aa） Fragment：PDZ domain
Mutation：D332P No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；0.16 M ammonium dihydrogenphosphate, 50 mM Tris, 20 % glycerol
Resolution 1.50 Å R-free 0.199
6QJF Crystal Structure of the third PDZ domain of PSD-95 protein D332P mutant: space group C121, structure 1 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 302–403（102 aa） Fragment：PDZ domain
Mutation：D332P No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；0.16 M ammonium dihydrogenphosphate, 50 mM Tris, 20 % glycerol
Resolution 1.50 Å R-free 0.199
6QJF Crystal Structure of the third PDZ domain of PSD-95 protein D332P mutant: space group C121, structure 1 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 302–403（102 aa） Fragment：PDZ domain
Mutation：D332P No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；0.16 M ammonium dihydrogenphosphate, 50 mM Tris, 20 % glycerol
Resolution 1.50 Å R-free 0.199
6QJF Crystal Structure of the third PDZ domain of PSD-95 protein D332P mutant: space group C121, structure 1 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 302–403（102 aa） Fragment：PDZ domain
Mutation：D332P No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；0.16 M ammonium dihydrogenphosphate, 50 mM Tris, 20 % glycerol
Resolution 1.50 Å R-free 0.199
6QJG Crystal Structure of the third PDZ domain of PSD-95 protein D332P mutant: space group C121, structure 2 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 302–403（102 aa） Fragment：PDZ domain
Mutation：D332P No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1 M MES, 30 % PEG 8000
Resolution 2.00 Å R-free 0.246
6QJG Crystal Structure of the third PDZ domain of PSD-95 protein D332P mutant: space group C121, structure 2 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 302–403（102 aa） Fragment：PDZ domain
Mutation：D332P No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1 M MES, 30 % PEG 8000
Resolution 2.00 Å R-free 0.246
6QJG Crystal Structure of the third PDZ domain of PSD-95 protein D332P mutant: space group C121, structure 2 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 302–403（102 aa） Fragment：PDZ domain
Mutation：D332P No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1 M MES, 30 % PEG 8000
Resolution 2.00 Å R-free 0.246
6QJG Crystal Structure of the third PDZ domain of PSD-95 protein D332P mutant: space group C121, structure 2 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 302–403（102 aa） Fragment：PDZ domain
Mutation：D332P No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1 M MES, 30 % PEG 8000
Resolution 2.00 Å R-free 0.246
6QJI Crystal Structure of the third PDZ domain of PSD-95 protein: space group P3112 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 305–403（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；0.2 M AMMONIUM SULPHATE, 30% PEG 4000
Resolution 1.50 Å R-free 0.261
6QJI Crystal Structure of the third PDZ domain of PSD-95 protein: space group P3112 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 305–403（99 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；0.2 M AMMONIUM SULPHATE, 30% PEG 4000
Resolution 1.50 Å R-free 0.261
6QJI Crystal Structure of the third PDZ domain of PSD-95 protein: space group P3112 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 305–403（99 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；0.2 M AMMONIUM SULPHATE, 30% PEG 4000
Resolution 1.50 Å R-free 0.261
6QJI Crystal Structure of the third PDZ domain of PSD-95 protein: space group P3112 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 305–403（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；0.2 M AMMONIUM SULPHATE, 30% PEG 4000
Resolution 1.50 Å R-free 0.261
6QJI Crystal Structure of the third PDZ domain of PSD-95 protein: space group P3112 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 305–403（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；0.2 M AMMONIUM SULPHATE, 30% PEG 4000
Resolution 1.50 Å R-free 0.261
6QJI Crystal Structure of the third PDZ domain of PSD-95 protein: space group P3112 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 305–403（99 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；0.2 M AMMONIUM SULPHATE, 30% PEG 4000
Resolution 1.50 Å R-free 0.261
6QJJ Crystal Structure of the third PDZ domain of PSD-95 protein: space group P3221 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 305–403（99 aa） Fragment：PDZ domain
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.2 M ammonium sulphate, 30% PEG 4000
Resolution 1.70 Å R-free 0.223
6QJK Crystal Structure of the third PDZ domain of PSD-95 protein D332G mutant: space group P43 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 348–446（99 aa） Fragment：PDZ domain
Mutation：D332G SO4 SULFATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.17 M ammonium sulphate , 25.5% PEG 8000 , 15% Glycerol
Resolution 1.05 Å R-free 0.145
6QJL Crystal Structure of the third PDZ domain of PSD-95 protein D332G mutant: space group P21 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 302–403（102 aa） Fragment：PDZ domain
Mutation：D332G SO4 SULFATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.17 M ammonium sulphate , 25.5% PEG 8000 , 15% Glycerol
Resolution 1.04 Å R-free 0.174
6QJL Crystal Structure of the third PDZ domain of PSD-95 protein D332G mutant: space group P21 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 302–403（102 aa） Fragment：PDZ domain
Mutation：D332G SO4 SULFATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.17 M ammonium sulphate , 25.5% PEG 8000 , 15% Glycerol
Resolution 1.04 Å R-free 0.174
6QJN Crystal Structure of the third PDZ domain of PSD-95 protein D332G mutant: space group I4122 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 302–403（102 aa） Fragment：PDZ domain
Mutation：D332G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；298 K；0.1 M sodium citrate, 20% 2-Propanol, 20% PEG 4000, 5% Glycerol
Resolution 1.80 Å R-free 0.227
6QJN Crystal Structure of the third PDZ domain of PSD-95 protein D332G mutant: space group I4122 Deposited 2019-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 302–403（102 aa） Fragment：PDZ domain
Mutation：D332G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；298 K；0.1 M sodium citrate, 20% 2-Propanol, 20% PEG 4000, 5% Glycerol
Resolution 1.80 Å R-free 0.227
6SPV Crystal structure of PDZ1-2 from PSD-95 Deposited 2019-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 55–249（195 aa）
Not recorded GSH Glutathione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.2 M calcium acetate; 0.1 M sodium cacodylate; 40% v/v PEG 400
Resolution 2.04 Å R-free 0.260
6SPZ Crystal structure of PDZ1-2 from PSD-95 with peptide ligand sequence RRESEI bound to both domains Deposited 2019-09-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 55–249（195 aa）
Not recorded GSH Glutathione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；277 K；0.2 M NaCl, 0.1 M Na/K phosphate, 50% v/v PEG 200. Matrix microseeding with Apo crystal form (PDB ID: 6spv).
Resolution 2.08 Å R-free 0.240
9TNF Crystal Structure of the third PDZ domain of PSD-95 protein Y397E mutant Deposited 2025-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 302–403（102 aa）
Mutation：Y397E No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；0.2 M ammonium sulphate, 30% w/v PEG 4000, 0.1 M sodium acetate
Resolution 1.45 Å R-free 0.201
9TNF Crystal Structure of the third PDZ domain of PSD-95 protein Y397E mutant Deposited 2025-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 302–403（102 aa）
Mutation：Y397E No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；0.2 M ammonium sulphate, 30% w/v PEG 4000, 0.1 M sodium acetate
Resolution 1.45 Å R-free 0.201
9TNG Crystal Structure of the third PDZ domain of PSD-95 protein E401R mutant Deposited 2025-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 302–403（102 aa）
Mutation：E401R ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；0.2 M ammonium sulphate, 25% w/v PEG 4000, 0.1 M sodium acetate
Resolution 0.95 Å R-free 0.168

18 other PDB entries and 39 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name DLG4_HUMAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B； PDBConstruct 1–19； UniProt 1–19

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

SAXS profile for 5j7j

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5j7j
Download Download
▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id5j7j
Deposition date deposition_date2016-04-06
Structure title titleNMR Derived Structure of Ca2+ Calmodulin bound to Phosphorylated PSD-95
Keywords keywordsphosphorylated, calmodulin, PSD-95, Voltage-Gated Channel, METAL BINDING PROTEIN; METAL BINDING PROTEIN
Experimental Method methodSOLUTION NMR
▼

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

Radius of gyration Rg (Guinier) rg_guinier16.32 Å
Radius of gyration Rg (electron density) rg_electron15.64 Å
Forward intensity I(0) i095102400.00
Molecular weight molecular_weight75087.0 kDa
Excluded volume excluded_volume91657 ų
Envelope volume envelope_volume30749 ų
Hydration-shell volume shell_volume16044 ų
Envelope diameter envelope_diameter52.2 Å
Shell Rg shell_rg22.04 Å
Envelope Rg envelope_rg16.13 Å
Shape Rg shape_rg15.66 Å
Total Rg total_rg15.90 Å
Total atoms total_atoms10072
Residues n_residues648
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
▼

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

Maximum dimension Dmax dmax50.6 Å
Rg (real space) rg_real16.21 Å
Rg uncertainty (real space) rg_real_error0.24 Å
I(0) (real space) i0_real9.5100e+07
I(0) uncertainty (real space) i0_real_error1.0480e+06
Rg (reciprocal space) rg_reciprocal16.22 Å
I(0) (reciprocal space) i0_reciprocal95100000.0000
Solution quality estimate total_estimate0.8968
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary21.4 Å
Skewness Skewness skewness0.119
Kurtosis Kurtosis kurtosis-0.432
Angular range angular_range— – 0.4900 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha698800.0000
Real-space data points n_real_points79
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.893; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.989
▶

5. Crystallography and Experiment 5. Crystallography & Experiment

▶

6. Entities and Polymers Entities & Polymers (3)

▶

8. Citations (1)

▶

9. Files and Curves (10)