3hvq

Crystal structure of a complex between Protein Phosphatase 1 alpha (PP1) and the PP1 binding and PDZ domains of Neurabin

Method: X-RAY DIFFRACTION D_max: 109.8 Å Quality: GOOD

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

Serine/threonine-protein phosphatase PP1-alpha catalytic subunit

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 × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain A； UniProt 7–330 Chain B； UniProt 7–330	Fragment：CATALYTIC SUBUNIT	Neurabin-1 × 2 （O35867） MN MANGANESE (II) ION × 4 PO4 PHOSPHATE ION × 2 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.9；277 K；0.2 M (NH4)2HPO4, 20% PEG 3350, pH 7.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.20 Å R-free 0.221
2	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 7–330	Fragment：CATALYTIC SUBUNIT	Neurabin-1 × 1 （O35867） MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.9；277 K；0.2 M (NH4)2HPO4, 20% PEG 3350, pH 7.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.20 Å R-free 0.221
3	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain B； UniProt 7–330	Fragment：CATALYTIC SUBUNIT	Neurabin-1 × 1 （O35867） MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.9；277 K；0.2 M (NH4)2HPO4, 20% PEG 3350, pH 7.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.20 Å R-free 0.221

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 3HVQ	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
3E7A Crystal Structure of Protein Phosphatase-1 Bound to the natural toxin Nodularin-R Deposited 2008-08-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 7–300（294 aa） Fragment：residues 7-300	Not recorded	MN MANGANESE (II) ION × 2 IOD IODIDE ION × 7 CL CHLORIDE ION × 3 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 7；298 K；20% PEG 3350 and 0.2 M NaI, pH 7.0, under parafin oil, temperature 298K, Microbatch	Resolution 1.63 Å R-free 0.169
3E7A Crystal Structure of Protein Phosphatase-1 Bound to the natural toxin Nodularin-R Deposited 2008-08-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 7–300（294 aa） Fragment：residues 7-300	Not recorded	MN MANGANESE (II) ION × 2 IOD IODIDE ION × 7 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 AZI AZIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 7；298 K；20% PEG 3350 and 0.2 M NaI, pH 7.0, under parafin oil, temperature 298K, Microbatch	Resolution 1.63 Å R-free 0.169
3E7B Crystal Structure of Protein Phosphatase-1 Bound to the natural toxin inhibitor Tautomycin Deposited 2008-08-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 7–300（294 aa） Fragment：residues 7-300	Not recorded	MN MANGANESE (II) ION × 2 E7B (2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10R)-10-{(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undec-2-yl}-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 NA SODIUM ION × 1 AZI AZIDE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；298 K；0.1M Tris, 30% PEG 6K, 1M Lithium Sulfate, pH 8.0, under paraffin oil, temperature 298K	Resolution 1.70 Å R-free 0.175
3E7B Crystal Structure of Protein Phosphatase-1 Bound to the natural toxin inhibitor Tautomycin Deposited 2008-08-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 7–300（294 aa） Fragment：residues 7-300	Not recorded	MN MANGANESE (II) ION × 2 E7B (2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10R)-10-{(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undec-2-yl}-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid × 1 AZI AZIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；298 K；0.1M Tris, 30% PEG 6K, 1M Lithium Sulfate, pH 8.0, under paraffin oil, temperature 298K	Resolution 1.70 Å R-free 0.175
3EGG Crystal structure of a complex between Protein Phosphatase 1 alpha (PP1) and the PP1 binding and PDZ domains of Spinophilin Deposited 2008-09-10	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 7–330（324 aa）	Not recorded	GOL GLYCEROL × 4 MN MANGANESE (II) ION × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.2M NaCl, 0.1M MES, 10% PEG 4000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.85 Å R-free 0.211
3EGG Crystal structure of a complex between Protein Phosphatase 1 alpha (PP1) and the PP1 binding and PDZ domains of Spinophilin Deposited 2008-09-10	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 7–330（324 aa）	Not recorded	GOL GLYCEROL × 3 MN MANGANESE (II) ION × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.2M NaCl, 0.1M MES, 10% PEG 4000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.85 Å R-free 0.211
3EGH Crystal structure of a complex between Protein Phosphatase 1 alpha (PP1), the PP1 binding and PDZ domains of Spinophilin and the small natural molecular toxin Nodularin-R Deposited 2008-09-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain A 7–330（324 aa） Chain B 7–330（324 aa）	Not recorded	GOL GLYCEROL × 4 MN MANGANESE (II) ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；277 K；0.1M MES, 15% PEG 550 MME, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.00 Å R-free 0.235
3EGH Crystal structure of a complex between Protein Phosphatase 1 alpha (PP1), the PP1 binding and PDZ domains of Spinophilin and the small natural molecular toxin Nodularin-R Deposited 2008-09-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 7–330（324 aa）	Not recorded	GOL GLYCEROL × 4 MN MANGANESE (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；277 K；0.1M MES, 15% PEG 550 MME, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.00 Å R-free 0.235
3EGH Crystal structure of a complex between Protein Phosphatase 1 alpha (PP1), the PP1 binding and PDZ domains of Spinophilin and the small natural molecular toxin Nodularin-R Deposited 2008-09-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain B 7–330（324 aa）	Not recorded	MN MANGANESE (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；277 K；0.1M MES, 15% PEG 550 MME, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.00 Å R-free 0.235
3N5U Crystal structure of an Rb C-terminal peptide bound to the catalytic subunit of PP1 Deposited 2010-05-25	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–300（300 aa） Fragment：UNP residues 1-300 Chain B 1–300（300 aa） Fragment：UNP residues 1-300	Not recorded	MN MANGANESE (II) ION × 4 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions hanging drop；pH 7.5；298 K；100mM HEPES, 200mM MgCl2, 18% PEG 4000, pH 7.5, hanging drop, temperature 298K	Resolution 3.20 Å R-free 0.261
3N5U Crystal structure of an Rb C-terminal peptide bound to the catalytic subunit of PP1 Deposited 2010-05-25	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–300（300 aa） Fragment：UNP residues 1-300	Not recorded	MN MANGANESE (II) ION × 2 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions hanging drop；pH 7.5；298 K；100mM HEPES, 200mM MgCl2, 18% PEG 4000, pH 7.5, hanging drop, temperature 298K	Resolution 3.20 Å R-free 0.261
3V4Y Crystal Structure of the first Nuclear PP1 holoenzyme Deposited 2011-12-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 7–307（301 aa） Fragment：PP1 binding domain	Not recorded	MN MANGANESE (II) ION × 2 GOL GLYCEROL × 3 15P POLYETHYLENE GLYCOL (N=34) × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.6；277 K；0.08M Bis-Tris, 0.32M KF, 19% PEG1500, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.10 Å R-free 0.196
3V4Y Crystal Structure of the first Nuclear PP1 holoenzyme Deposited 2011-12-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 7–307（301 aa） Fragment：PP1 binding domain	Not recorded	MN MANGANESE (II) ION × 2 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.6；277 K；0.08M Bis-Tris, 0.32M KF, 19% PEG1500, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.10 Å R-free 0.196
3V4Y Crystal Structure of the first Nuclear PP1 holoenzyme Deposited 2011-12-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 7–307（301 aa） Fragment：PP1 binding domain	Not recorded	MN MANGANESE (II) ION × 2 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.6；277 K；0.08M Bis-Tris, 0.32M KF, 19% PEG1500, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.10 Å R-free 0.196
3V4Y Crystal Structure of the first Nuclear PP1 holoenzyme Deposited 2011-12-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain G 7–307（301 aa） Fragment：PP1 binding domain	Not recorded	MN MANGANESE (II) ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.6；277 K；0.08M Bis-Tris, 0.32M KF, 19% PEG1500, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.10 Å R-free 0.196
4G9J Protein Ser/Thr phosphatase-1 in complex with cell-permeable peptide Deposited 2012-07-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–330（330 aa）	Not recorded	MN MANGANESE (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions SITTING DROP；pH 8；293 K；20% PEG6000, 1 M lithium chloride, pH 8.0, SITTING DROP, temperature 293K	Resolution 3.10 Å R-free 0.276
4G9J Protein Ser/Thr phosphatase-1 in complex with cell-permeable peptide Deposited 2012-07-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–330（330 aa）	Not recorded	MN MANGANESE (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions SITTING DROP；pH 8；293 K；20% PEG6000, 1 M lithium chloride, pH 8.0, SITTING DROP, temperature 293K	Resolution 3.10 Å R-free 0.276
4MOV 1.45 A Resolution Crystal Structure of Protein Phosphatase 1 Deposited 2013-09-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 7–300（294 aa）	Not recorded	MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.1 M HEPES, 1.0 M Lithium Chloride, 20% PEG 6000, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.45 Å R-free 0.167
4MOV 1.45 A Resolution Crystal Structure of Protein Phosphatase 1 Deposited 2013-09-12	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 7–300（294 aa）	Not recorded	MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.1 M HEPES, 1.0 M Lithium Chloride, 20% PEG 6000, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.45 Å R-free 0.167
4MOY Structure of a second nuclear PP1 Holoenzyme, crystal form 1 Deposited 2013-09-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 7–300（294 aa） Fragment：PP1 alpha catalytic subunit	Not recorded	MN MANGANESE (II) ION × 2 CL CHLORIDE ION × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；277 K；0.1 M Tris, 1 M LiCl, 18% PEG 6000, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.20 Å R-free 0.185
4MP0 Structure of a second nuclear PP1 Holoenzyme, crystal form 2 Deposited 2013-09-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 7–300（294 aa） Fragment：PP1 alpha catalytic subunit	Not recorded	MN MANGANESE (II) ION × 2 GOL GLYCEROL × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；2% v/v Tacsimate, 0.1 M Tris, 16% w/v Polyethylene glycol 3,350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.10 Å R-free 0.202
4MP0 Structure of a second nuclear PP1 Holoenzyme, crystal form 2 Deposited 2013-09-12	Different construct Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 7–300（294 aa） Fragment：PP1 alpha catalytic subunit	Not recorded	MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；2% v/v Tacsimate, 0.1 M Tris, 16% w/v Polyethylene glycol 3,350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.10 Å R-free 0.202
4XPN Crystal Structure of Protein Phosphate 1 complexed with PP1 binding domain of GADD34 Deposited 2015-01-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 7–300（294 aa） Fragment：UNP residues 7-300	Not recorded	MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.8；277 K；0.2 M Ammonium phosphate dibasic, 20% w/v Polyethylene glycol 3,350	Resolution 2.29 Å R-free 0.205
4XPN Crystal Structure of Protein Phosphate 1 complexed with PP1 binding domain of GADD34 Deposited 2015-01-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 7–300（294 aa） Fragment：UNP residues 7-300	Not recorded	MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.8；277 K；0.2 M Ammonium phosphate dibasic, 20% w/v Polyethylene glycol 3,350	Resolution 2.29 Å R-free 0.205
5IOH RepoMan-PP1a (protein phosphatase 1, alpha isoform) holoenzyme complex Deposited 2016-03-08	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 7–300（294 aa） Fragment：UNP residues 7-300	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；277 K；100 mM Sodium Malonate, 12% PEG 3350	Resolution 2.57 Å R-free 0.215
5IOH RepoMan-PP1a (protein phosphatase 1, alpha isoform) holoenzyme complex Deposited 2016-03-08	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 7–300（294 aa） Fragment：UNP residues 7-300	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；277 K；100 mM Sodium Malonate, 12% PEG 3350	Resolution 2.57 Å R-free 0.215
6ALZ Crystal structure of Protein Phosphatase 1 bound to the natural inhibitor Tautomycetin Deposited 2017-08-08	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 7–300（294 aa） Fragment：residues 7-300	Not recorded	MN MANGANESE (II) ION × 2 BKM (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid × 1 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；20% PEG 6000, 1 M lithium chloride, 0.1 M Tris pH 8.0	Resolution 2.21 Å R-free 0.216
6ALZ Crystal structure of Protein Phosphatase 1 bound to the natural inhibitor Tautomycetin Deposited 2017-08-08	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 7–300（294 aa） Fragment：residues 7-300	Not recorded	MN MANGANESE (II) ION × 2 BKM (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；20% PEG 6000, 1 M lithium chloride, 0.1 M Tris pH 8.0	Resolution 2.21 Å R-free 0.216
6ALZ Crystal structure of Protein Phosphatase 1 bound to the natural inhibitor Tautomycetin Deposited 2017-08-08	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 7–300（294 aa） Fragment：residues 7-300 Chain B 7–300（294 aa） Fragment：residues 7-300	Not recorded	MN MANGANESE (II) ION × 4 BKM (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid × 2 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；20% PEG 6000, 1 M lithium chloride, 0.1 M Tris pH 8.0	Resolution 2.21 Å R-free 0.216
6CZO The KNL1-PP1 Holoenzyme Deposited 2018-04-09	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 7–300（294 aa） Fragment：residues 7-300	Not recorded	MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；10% PEG 6000, 0.1 M HEPES, VAPOR DIFFUSION, TEMPERATURE 277K	Resolution 2.95 Å R-free 0.213
6CZO The KNL1-PP1 Holoenzyme Deposited 2018-04-09	Different construct Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 7–300（294 aa） Fragment：residues 7-300	Not recorded	MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；10% PEG 6000, 0.1 M HEPES, VAPOR DIFFUSION, TEMPERATURE 277K	Resolution 2.95 Å R-free 0.213
6DCX iASPP-PP-1c structure and targeting of p53 Deposited 2018-05-08	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–330（330 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.3；298 K；Crystals of iASPP 608-828-PP-1ca complex were grown by sitting drop vapor diffusion with a reservoir solution containing 12-15% PEG6000, 0.1 M sodium citrate, pH 5.3 and were improved by seeding by hanging vapor diffusion at room temperature.	Resolution 3.41 Å R-free 0.241
6DCX iASPP-PP-1c structure and targeting of p53 Deposited 2018-05-08	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–330（330 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.3；298 K；Crystals of iASPP 608-828-PP-1ca complex were grown by sitting drop vapor diffusion with a reservoir solution containing 12-15% PEG6000, 0.1 M sodium citrate, pH 5.3 and were improved by seeding by hanging vapor diffusion at room temperature.	Resolution 3.41 Å R-free 0.241
6DNO Crystal structure of Protein Phosphatase 1 (PP1) bound to the muscle glycogen-targeting subunit (Gm) Deposited 2018-06-07	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 7–300（294 aa） Fragment：residues 7-300	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；277 K；0.4 M magnesium formate dihydrate, 0.1 M Sodium Acetate trihydrate	Resolution 1.45 Å R-free 0.210
6G0I Active Fe-PP1 Deposited 2018-03-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–330（330 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	PO4 PHOSPHATE ION × 1 FE FE (III) ION × 2 MN MANGANESE (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；28% w/v PEG 3350, 0.1 M TRIS-Cl, pH 8.0 RT, 1 M Lithium Chloride Soaked in 18 mM ascorbate.	Resolution 2.00 Å R-free 0.233
6G0J Inactive Fe-PP1 Deposited 2018-03-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–330（330 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	FE FE (III) ION × 2 MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；28% w/v PEG 3350, 0.1 M TRIS-Cl,pH 8.0 RT, 1 M Lithium Chloride.	Resolution 2.10 Å R-free 0.236
6GHM Structure of PP1 alpha phosphatase bound to ASPP2 Deposited 2018-05-08	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 7–330（324 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 8 GOL GLYCEROL × 3 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 3 MN MANGANESE (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M TRIS pH 8.5 16 % PEG 8000	Resolution 2.15 Å R-free 0.214
6GHM Structure of PP1 alpha phosphatase bound to ASPP2 Deposited 2018-05-08	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 7–330（324 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 4 GOL GLYCEROL × 1 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 3 MN MANGANESE (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M TRIS pH 8.5 16 % PEG 8000	Resolution 2.15 Å R-free 0.214
6OBN The crystal structure of coexpressed SDS22:PP1 complex Deposited 2019-03-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–300（300 aa） Fragment：UNP residues 1-300	Not recorded	PO4 PHOSPHATE ION × 5 FE FE (III) ION × 1 CL CHLORIDE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；289 K；14% PEG4000, 6% MPD, sodium/potassium phosphate	Resolution 2.70 Å R-free 0.246
6OBN The crystal structure of coexpressed SDS22:PP1 complex Deposited 2019-03-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–300（300 aa） Fragment：UNP residues 1-300	Not recorded	PO4 PHOSPHATE ION × 3 FE FE (III) ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；289 K；14% PEG4000, 6% MPD, sodium/potassium phosphate	Resolution 2.70 Å R-free 0.246
6OBP Reconstituted PP1 holoenzyme Deposited 2019-03-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–300（300 aa） Fragment：UNP residues 1-300	Not recorded	PO4 PHOSPHATE ION × 2 MN MANGANESE (II) ION × 1 CL CHLORIDE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；289 K；14% PEG4000, 6% MPD, sodium/potassium phosphate	Resolution 2.70 Å R-free 0.258
6OBQ PP1 H66K in complex with Microcystin LR Deposited 2019-03-21	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 7–300（294 aa） Fragment：UNP residues 7-300	Mutation：H66K	MN MANGANESE (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；20% PEG6000, 1 M lithium chloride, 0.1 M MES	Resolution 1.84 Å R-free 0.260
6OBQ PP1 H66K in complex with Microcystin LR Deposited 2019-03-21	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 7–300（294 aa） Fragment：UNP residues 7-300	Mutation：H66K	MN MANGANESE (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；20% PEG6000, 1 M lithium chloride, 0.1 M MES	Resolution 1.84 Å R-free 0.260
6OBR PP1 Y134A in complex with Microcystin LR Deposited 2019-03-21	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 7–300（294 aa） Fragment：UNP residues 7-300	Mutation：Y134A	MN MANGANESE (II) ION × 2 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；289 K；20% PEG6000, 1 M lithium chloride, 0.1 M MES	Resolution 1.50 Å R-free 0.210
6OBR PP1 Y134A in complex with Microcystin LR Deposited 2019-03-21	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 7–300（294 aa） Fragment：UNP residues 7-300	Mutation：Y134A	MN MANGANESE (II) ION × 2 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；289 K；20% PEG6000, 1 M lithium chloride, 0.1 M MES	Resolution 1.50 Å R-free 0.210
6OBS PP1 Y134K Deposited 2019-03-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 7–300（294 aa） Fragment：UNP residues 7-300	Mutation：Y134K	MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；289 K；20% PEG6000, 1 M lithium chloride, 0.1 M MES, pH 6.0	Resolution 1.80 Å R-free 0.246
6OBS PP1 Y134K Deposited 2019-03-21	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 7–300（294 aa） Fragment：UNP residues 7-300	Mutation：Y134K	MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；289 K；20% PEG6000, 1 M lithium chloride, 0.1 M MES, pH 6.0	Resolution 1.80 Å R-free 0.246
6OBU PP1 Y134K in complex with Microcystin LR Deposited 2019-03-21	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 7–300（294 aa） Fragment：UNP residues 7-300	Mutation：Y134K	MN MANGANESE (II) ION × 2 GOL GLYCEROL × 5 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；289 K；20% PEG6000, 1 M lithium chloride, 0.1 M MES, pH 6.0	Resolution 1.95 Å R-free 0.202
6OBU PP1 Y134K in complex with Microcystin LR Deposited 2019-03-21	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 7–300（294 aa） Fragment：UNP residues 7-300	Mutation：Y134K	MN MANGANESE (II) ION × 2 GOL GLYCEROL × 2 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；289 K；20% PEG6000, 1 M lithium chloride, 0.1 M MES, pH 6.0	Resolution 1.95 Å R-free 0.202
6ZEE Structure of PP1(7-300) bound to Phactr1 (507-580) at pH8.4 Deposited 2020-06-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric	Chain A 7–300（294 aa） Chain B 7–300（294 aa） Chain I 7–300（294 aa） Chain K 7–300（294 aa） Chain P 7–300（294 aa） Chain Q 7–300（294 aa）	Mutation：N-terminal Vector derived sequence GHMGS Mutation：N-terminal Vector derived sequence GHMGS Mutation：N-terminal Vector derived sequence GHMGS Mutation：N-terminal Vector derived sequence GHMGS Mutation：N-terminal Vector derived sequence GHMGS Mutation：N-terminal Vector derived sequence GHMGS	MN MANGANESE (II) ION × 12 EDO 1,2-ETHANEDIOL × 54 GOL GLYCEROL × 6 SO4 SULFATE ION × 14 16P 3,6,9,12,15,18-HEXAOXAICOSANE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.4；293 K；7.5% PEG 3350, 0.2M MgSO4	Resolution 1.90 Å R-free 0.268
6ZEF Structure of PP1(7-300) bound to Phactr1 (516-580) at pH 5.25 Deposited 2020-06-16	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 7–300（294 aa）	Mutation：N-terminal Vector derived sequence GHMGS	EDO 1,2-ETHANEDIOL × 5 CL CHLORIDE ION × 1 MN MANGANESE (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.25；293 K；1M LiCl, 0.1 M tri-sodium citrate pH 5.25 and 10 % PEG 6000	Resolution 1.94 Å R-free 0.211
6ZEF Structure of PP1(7-300) bound to Phactr1 (516-580) at pH 5.25 Deposited 2020-06-16	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 7–300（294 aa）	Mutation：N-terminal Vector derived sequence GHMGS	EDO 1,2-ETHANEDIOL × 3 MN MANGANESE (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.25；293 K；1M LiCl, 0.1 M tri-sodium citrate pH 5.25 and 10 % PEG 6000	Resolution 1.94 Å R-free 0.211
6ZEG Structure of PP1-IRSp53 chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580) Deposited 2020-06-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 7–304（298 aa）	Mutation：N-terminal Vector derived sequence GHMGS	MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；20% (w/v) polyethylene glycol 3350, 0.2 M KSCN and 0.1 M BIS-Tris propane pH 8.5	Resolution 1.09 Å R-free 0.140
6ZEG Structure of PP1-IRSp53 chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580) Deposited 2020-06-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 7–304（298 aa）	Mutation：N-terminal Vector derived sequence GHMGS	MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1 EDO 1,2-ETHANEDIOL × 2 16P 3,6,9,12,15,18-HEXAOXAICOSANE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；20% (w/v) polyethylene glycol 3350, 0.2 M KSCN and 0.1 M BIS-Tris propane pH 8.5	Resolution 1.09 Å R-free 0.140
6ZEH Structure of PP1-spectrin alpha II chimera [PP1(7-304) + linker (G/S)x9 + spectrin alpha II (1025-1039)] bound to Phactr1 (516-580) Deposited 2020-06-16	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 7–304（298 aa）	Mutation：N-terminal Vector derived sequence GHMGS	MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；20% (w/v) polyethylene glycol 3350, 0.2 M NaI and 0.1 M BIS-Tris propane pH 8.5	Resolution 1.30 Å R-free 0.169
6ZEH Structure of PP1-spectrin alpha II chimera [PP1(7-304) + linker (G/S)x9 + spectrin alpha II (1025-1039)] bound to Phactr1 (516-580) Deposited 2020-06-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 7–304（298 aa）	Mutation：N-terminal Vector derived sequence GHMGS	MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；20% (w/v) polyethylene glycol 3350, 0.2 M NaI and 0.1 M BIS-Tris propane pH 8.5	Resolution 1.30 Å R-free 0.169
6ZEI Structure of PP1-IRSp53 S455E chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580) Deposited 2020-06-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 7–304（298 aa）	Mutation：N-terminal Vector derived sequence GHMGS	MN MANGANESE (II) ION × 2 GOL GLYCEROL × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.4；293 K；20% (w/v) polyethylene glycol 3350 and 0.2 M NaBr	Resolution 1.39 Å R-free 0.158
6ZEI Structure of PP1-IRSp53 S455E chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580) Deposited 2020-06-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 7–304（298 aa）	Mutation：N-terminal Vector derived sequence GHMGS	MN MANGANESE (II) ION × 2 GOL GLYCEROL × 1 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.4；293 K；20% (w/v) polyethylene glycol 3350 and 0.2 M NaBr	Resolution 1.39 Å R-free 0.158
6ZEJ Structure of PP1-Phactr1 chimera [PP1(7-304) + linker (SGSGS) + Phactr1(526-580)] Deposited 2020-06-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain D 7–304（298 aa）	Mutation：N-terminal Vector derived sequence GHMGS	MN MANGANESE (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.4；293 K；20% PEG 3350, 0.2M Potassium Citrate	Resolution 1.78 Å R-free 0.271
6ZEJ Structure of PP1-Phactr1 chimera [PP1(7-304) + linker (SGSGS) + Phactr1(526-580)] Deposited 2020-06-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 7–304（298 aa）	Mutation：N-terminal Vector derived sequence GHMGS	MN MANGANESE (II) ION × 2 GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.4；293 K；20% PEG 3350, 0.2M Potassium Citrate	Resolution 1.78 Å R-free 0.271
6ZEJ Structure of PP1-Phactr1 chimera [PP1(7-304) + linker (SGSGS) + Phactr1(526-580)] Deposited 2020-06-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain F 7–304（298 aa）	Mutation：N-terminal Vector derived sequence GHMGS	MN MANGANESE (II) ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.4；293 K；20% PEG 3350, 0.2M Potassium Citrate	Resolution 1.78 Å R-free 0.271
6ZEJ Structure of PP1-Phactr1 chimera [PP1(7-304) + linker (SGSGS) + Phactr1(526-580)] Deposited 2020-06-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain I 7–304（298 aa）	Mutation：N-terminal Vector derived sequence GHMGS	MN MANGANESE (II) ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.4；293 K；20% PEG 3350, 0.2M Potassium Citrate	Resolution 1.78 Å R-free 0.271
6ZEJ Structure of PP1-Phactr1 chimera [PP1(7-304) + linker (SGSGS) + Phactr1(526-580)] Deposited 2020-06-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain L 7–304（298 aa）	Mutation：N-terminal Vector derived sequence GHMGS	MN MANGANESE (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.4；293 K；20% PEG 3350, 0.2M Potassium Citrate	Resolution 1.78 Å R-free 0.271
6ZEJ Structure of PP1-Phactr1 chimera [PP1(7-304) + linker (SGSGS) + Phactr1(526-580)] Deposited 2020-06-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain O 7–304（298 aa）	Mutation：N-terminal Vector derived sequence GHMGS	MN MANGANESE (II) ION × 2 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.4；293 K；20% PEG 3350, 0.2M Potassium Citrate	Resolution 1.78 Å R-free 0.271
6ZK6 Protein Phosphatase 1 (PP1) T320E mutant Deposited 2020-06-29	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–330（330 aa）	Mutation：T320E Non-standard monomer：Yes (specific site not provided by mmCIF)	MN MANGANESE (II) ION × 2 FE FE (III) ION × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；PEG 3350, TRIS , lithium chloride	Resolution 1.90 Å R-free 0.194
7QFB Crystal structure of Protein Phosphatase 1 in complex with PP1-binding peptide from PTG Deposited 2021-12-05	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 7–300（294 aa） Fragment：phosphatase domain (residues 7-300)	Mutation：First residue GHMGS derive from the expression tag	GOL GLYCEROL × 8 MN MANGANESE (II) ION × 2 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6 M Lithium sulfate, 1.4 M sodium malonate	Resolution 2.05 Å R-free 0.191
7QM2 Crystal structure of the PP1/PTG/beta-cyclodextrin ternary complex Deposited 2021-12-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 7–300（294 aa） Fragment：phosphatase domain (residues 7-300)	Mutation：First residues GHMGS derive from the expression tag	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium acetate, 1 M sodium malonate	Resolution 2.69 Å R-free 0.213
7QM2 Crystal structure of the PP1/PTG/beta-cyclodextrin ternary complex Deposited 2021-12-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 7–300（294 aa） Fragment：phosphatase domain (residues 7-300)	Mutation：First residues GHMGS derive from the expression tag	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium acetate, 1 M sodium malonate	Resolution 2.69 Å R-free 0.213
7T0Y The Ribosomal RNA Processing 1B Protein Phosphatase-1 Holoenzyme Deposited 2021-11-30	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 7–300（294 aa）	Mutation：Q20R	EDO 1,2-ETHANEDIOL × 5 MN MANGANESE (II) ION × 2 F FLUORIDE ION × 1 BR BROMIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；289 K；20% ethylene glycol; 10% PEG8000, 0.1 M imidazole; MES acid, 0.09 M Sodium fluoride; 0.09 M Sodium bromide; 0.09 M Sodium iodide	Resolution 1.80 Å R-free 0.246
7T0Y The Ribosomal RNA Processing 1B Protein Phosphatase-1 Holoenzyme Deposited 2021-11-30	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 C 7–300（294 aa）	Mutation：Q20R	EDO 1,2-ETHANEDIOL × 6 MN MANGANESE (II) ION × 2 BR BROMIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；289 K；20% ethylene glycol; 10% PEG8000, 0.1 M imidazole; MES acid, 0.09 M Sodium fluoride; 0.09 M Sodium bromide; 0.09 M Sodium iodide	Resolution 1.80 Å R-free 0.246
7TVF Crystal structure of the SHOC2-MRAS-PP1CA (SMP) complex to a resolution of 2.17 Angstrom Deposited 2022-02-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain F 2–330（329 aa）	Not recorded	GOL GLYCEROL × 7 SO4 SULFATE ION × 5 MN MANGANESE (II) ION × 2 NA SODIUM ION × 2 PO4 PHOSPHATE ION × 1 CL CHLORIDE ION × 2 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；Crystals originally grown in 15% PEG 1500, 0.1M MIB pH 4.2 (15mg/ml of SMP) were used to make seeds. Microseeded into a condition with a reservoir consisting of 17.8% PEG 3350, 136mM sodium sulfate with 1:10 dilution of seeds (7.5mg/ml of SMP) using a ratio of 200nl protein:133nl reservoir:67nl diluted seeds	Resolution 2.17 Å R-free 0.226
7TVF Crystal structure of the SHOC2-MRAS-PP1CA (SMP) complex to a resolution of 2.17 Angstrom Deposited 2022-02-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 2–330（329 aa）	Not recorded	GOL GLYCEROL × 6 SO4 SULFATE ION × 3 MN MANGANESE (II) ION × 2 CL CHLORIDE ION × 3 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；Crystals originally grown in 15% PEG 1500, 0.1M MIB pH 4.2 (15mg/ml of SMP) were used to make seeds. Microseeded into a condition with a reservoir consisting of 17.8% PEG 3350, 136mM sodium sulfate with 1:10 dilution of seeds (7.5mg/ml of SMP) using a ratio of 200nl protein:133nl reservoir:67nl diluted seeds	Resolution 2.17 Å R-free 0.226
7TXH Human MRas Q71R in complex with human Shoc2 LRR domain M173I and human PP1Ca Deposited 2022-02-09	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 7–300（294 aa）	Not recorded	GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 6 MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M NaH2PO4 pH 6.5, 12% PEG 8000	Resolution 1.95 Å R-free 0.210
7TXH Human MRas Q71R in complex with human Shoc2 LRR domain M173I and human PP1Ca Deposited 2022-02-09	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain F 7–300（294 aa）	Not recorded	GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 10 MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M NaH2PO4 pH 6.5, 12% PEG 8000	Resolution 1.95 Å R-free 0.210
7UPI Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex Deposited 2022-04-15	Different construct 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 B 1–330（330 aa）	Not recorded	GTP GUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 MN MANGANESE (II) ION × 2 CL CHLORIDE ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4；Fluorinated octyl maltoside added immediately prior to vitrification cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.89 Å
8DWK Inhibitor-3:PP1 reconstituted complex Deposited 2022-08-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 7–300（294 aa）	Not recorded	MN MANGANESE (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；10% w/v PEG 8000, 20% v/v ethylene glycol, 0.1 M bicine/Trizma base pH 8.5, 0.03 M diethyleneglycol, 0.03 M triethyleneglycol, 0.03 M tetraethyleneglycol, 0.03 M pentaethyleneglycol	Resolution 2.50 Å R-free 0.238
8DWK Inhibitor-3:PP1 reconstituted complex Deposited 2022-08-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 7–300（294 aa）	Not recorded	MN MANGANESE (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；10% w/v PEG 8000, 20% v/v ethylene glycol, 0.1 M bicine/Trizma base pH 8.5, 0.03 M diethyleneglycol, 0.03 M triethyleneglycol, 0.03 M tetraethyleneglycol, 0.03 M pentaethyleneglycol	Resolution 2.50 Å R-free 0.238
8DWL Inhibitor-3:PP1 coexpressed complex Deposited 2022-08-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 7–300（294 aa） Fragment：UNP RESIDUES 7-300	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；10% w/v PEG 8000, 20% v/v ethylene glycol, 0.1 M MES/imidazole pH 6.5, 0.03 M magnesium chloride, 0.03 M calcium chloride	Resolution 2.00 Å R-free 0.237
8DWL Inhibitor-3:PP1 coexpressed complex Deposited 2022-08-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 7–300（294 aa） Fragment：UNP RESIDUES 7-300	Not recorded	ZN ZINC ION × 2 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；10% w/v PEG 8000, 20% v/v ethylene glycol, 0.1 M MES/imidazole pH 6.5, 0.03 M magnesium chloride, 0.03 M calcium chloride	Resolution 2.00 Å R-free 0.237
8SW5 Protein Phosphatase 1 in complex with PP1-specific Phosphatase targeting peptide (PhosTAP) version 1 Deposited 2023-05-17	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 7–300（294 aa） Fragment：UNP RESIDUES 7-300	Not recorded	MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；289 K；1 M ammonium dihydrogen phosphate, 100 mM tri-sodium citrate, pH 5.6	Resolution 2.39 Å R-free 0.252
8SW5 Protein Phosphatase 1 in complex with PP1-specific Phosphatase targeting peptide (PhosTAP) version 1 Deposited 2023-05-17	Different construct Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 7–300（294 aa） Fragment：UNP RESIDUES 7-300	Not recorded	MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；289 K；1 M ammonium dihydrogen phosphate, 100 mM tri-sodium citrate, pH 5.6	Resolution 2.39 Å R-free 0.252
8SW6 Protein Phosphatase 1 in complex with PP1-specific Phosphatase targeting peptide (PhosTAP) version 3 Deposited 2023-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 7–300（294 aa） Fragment：UNP RESIDUES 7-300	Not recorded	MN MANGANESE (II) ION × 2 SO4 SULFATE ION × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7；289 K；0.1 M HEPES, pH 7.0, 0.1 M lithium sulfate, 30% w/v polyvinylpyrrolidone	Resolution 1.76 Å R-free 0.208
8SW6 Protein Phosphatase 1 in complex with PP1-specific Phosphatase targeting peptide (PhosTAP) version 3 Deposited 2023-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 7–300（294 aa） Fragment：UNP RESIDUES 7-300	Not recorded	MN MANGANESE (II) ION × 2 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7；289 K；0.1 M HEPES, pH 7.0, 0.1 M lithium sulfate, 30% w/v polyvinylpyrrolidone	Resolution 1.76 Å R-free 0.208
8U5G Crystal structure of the co-expressed SDS22:PP1:I3 complex Deposited 2023-09-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 7–300（294 aa）	Not recorded	FE FE (III) ION × 1 PO4 PHOSPHATE ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；289 K；1.8 M sodium phosphate monobasic monohydrate, potassium phosphate dibasic pH 8.2	Resolution 3.20 Å R-free 0.240
9NB9 Viral protein DP71L in complex with phosphorylated eIF2alpha (NTD) and protein phosphatase 1A (D64A), stabilized by G-actin/DNAseI Deposited 2025-02-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain C 1–330（330 aa）	Mutation：D64A	MN MANGANESE (II) ION × 1 CA CALCIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE；3.5 uL volume, -5 blot force, 1.5 blot time	Resolution 3.03 Å
9O65 Cryo-EM structure of SHOC2-KRAS-PP1CA (SKP) complex Deposited 2025-04-11	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 C 2–330（329 aa）	Mutation：P50R	GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 MN MANGANESE (II) ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.00 Å

45 other PDB entries and 86 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	PP1A_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 6–329； UniProt 7–330 Author chain B； PDBConstruct 6–329； UniProt 7–330

Neurabin-1

Rattus norvegicus

UniProt O35867

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 × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain C； UniProt 426–592 Chain D； UniProt 426–592	Fragment：PP1 BINDING AND PDZ DOMAINS	Serine/threonine-protein phosphatase PP1-alpha catalytic subunit × 2 （P62136） MN MANGANESE (II) ION × 4 PO4 PHOSPHATE ION × 2 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.9；277 K；0.2 M (NH4)2HPO4, 20% PEG 3350, pH 7.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.20 Å R-free 0.221
2	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain C； UniProt 426–592	Fragment：PP1 BINDING AND PDZ DOMAINS	Serine/threonine-protein phosphatase PP1-alpha catalytic subunit × 1 （P62136） MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.9；277 K；0.2 M (NH4)2HPO4, 20% PEG 3350, pH 7.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.20 Å R-free 0.221
3	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain D； UniProt 426–592	Fragment：PP1 BINDING AND PDZ DOMAINS	Serine/threonine-protein phosphatase PP1-alpha catalytic subunit × 1 （P62136） MN MANGANESE (II) ION × 2 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.9；277 K；0.2 M (NH4)2HPO4, 20% PEG 3350, pH 7.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.20 Å R-free 0.221

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 3HVQ	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2FN5 NMR Structure of the Neurabin PDZ domain (502-594) Deposited 2006-01-10	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 502–594（93 aa） Fragment：PDZ domain	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.5；298 K；Ionic strength (raw mmCIF value) 50 mM NaCl；Pressure ambient NMR sample composition 3.5 mM Neurabin PDZ 502-594 U-15N,13C, 20 mM Naphosphate buffer pH 6.5, 50 mM NaCl, 90% H2O, 10% D2O \| 90% H2O/10% D2O NMR sample composition 3.5 mM Neurabin PDZ 502-594 U-15N, 20 mM Naphosphate buffer pH 6.5, 50 mM NaCl, 90% H2O, 10% D2O \| 90% H2O/10% D2O	Resolution not provided
2GLE Solution structure of neurabin SAM domain Deposited 2006-04-04	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 986–1056（71 aa） Fragment：SAM domain (residues 986-1056)	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.8；298 K；Ionic strength (raw mmCIF value) 50 mM NaCl；Pressure ambient NMR sample composition 2mM Neurabin SAM U-15N,13C, 20mM phosphate buffer Na, pH 6.8, 90% H2O, 10% D2O \| 90% H2O/10% D2O NMR sample composition 2mM Neurabin SAM U-15N, 20mM phosphate buffer Na, pH 6.8, 90% H2O, 10% \| 90% H2O/10% D2O NMR sample composition 2mM Neurabin SAM, 0mM phosphate buffer Na, pH 6.8, 100 % D2O \| 100% D2O	Resolution not provided

2 other PDB entries and 2 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	NEB1_RAT
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain C； PDBConstruct 4–170； UniProt 426–592 Author chain D； PDBConstruct 4–170； UniProt 426–592

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	3hvq
Deposition date deposition_date	2009-06-16
Structure title title	Crystal structure of a complex between Protein Phosphatase 1 alpha (PP1) and the PP1 binding and PDZ domains of Neurabin
Keywords keywords	;PP1, NEURABIN, SERINE/THREONINE PHOSPHATASE, POST SYNAPTIC DENSITY, GLUTAMETERGIC RECEPTORS, CARBOHYDRATE METABOLISM, CELL CYCLE, CELL DIVISION, GLYCOGEN METABOLISM, HYDROLASE, IRON, MANGANESE, METAL-BINDING, PHOSPHOPROTEIN, PROTEIN PHOSPHATASE, ACTIN-BINDING, CELL JUNCTION, CELL PROJECTION, CYTOSKELETON, DEVELOPMENTAL PROTEIN, DIFFERENTIATION, NEUROGENESIS, NUCLEUS, SYNAPSE, Synaptosome, HYDROLASE-HYDROLASE REGULATOR COMPLEX ;; HYDROLASE/HYDROLASE REGULATOR
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	32.38 Å
Radius of gyration Rg (electron density) rg_electron	32.10 Å
Forward intensity I(0) i0	131857000.00
Molecular weight molecular_weight	91848.0 kDa
Excluded volume excluded_volume	114880 Å³
Envelope volume envelope_volume	140590 Å³
Hydration-shell volume shell_volume	37410 Å³
Envelope diameter envelope_diameter	115.1 Å
Shell Rg shell_rg	37.83 Å
Envelope Rg envelope_rg	32.31 Å
Shape Rg shape_rg	32.09 Å
Total Rg total_rg	32.57 Å
Total atoms total_atoms	6445
Residues n_residues	810
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	109.8 Å
Rg (real space) rg_real	32.57 Å
Rg uncertainty (real space) rg_real_error	0.89 Å
I(0) (real space) i0_real	1.3190e+08
I(0) uncertainty (real space) i0_real_error	1.9970e+06
Rg (reciprocal space) rg_reciprocal	32.49 Å
I(0) (reciprocal space) i0_reciprocal	131800000.0000
Solution quality estimate total_estimate	0.8560
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	31.4 Å
Skewness Skewness skewness	0.465
Kurtosis Kurtosis kurtosis	-0.341
Angular range angular_range	— – 0.2450 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	49720000.0000
Real-space data points n_real_points	50
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.802; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.907; Smooth: 0.813

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (6)

Entity 1 Entity 1 polymer

Description description	Serine/threonine-protein phosphatase PP1-alpha catalytic subunit
Molecular weight formula_weight	37349.8 kDa
EC 编号 ec_number	3.1.3.16
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	7048

GHMGSLNLDSIIGRLLEVQGSRPGKNVQLTENEIRGLCLKSREIFLSQPILLELEAPLKICGDIHGQYYDLLRLFEYGGFPPESNYLFLGDYVDRGKQSLETICLLLAYKIKYPENFFLLRGNHECASINRIYGFYDECKRRYNIKLWKTFTDCFNCLPIAAIVDEKIFCCHGGLSPDLQSMEQIRRIMRPTDVPDQGLLCDLLWSDPDKDVQGWGENDRGVSFTFGAEVVAKFLHKHDLDLICRAHQVVEDGYEFFAKRQLVTLFSAPNYCGEFDNAGAMMSVDETLMCSFQILKPADKNKGKYGQFSGLNPGGRPITPPRNSAKAKK

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	Neurabin-1
Molecular weight formula_weight	18849.9 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

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

GHMDDSDENNYYQPDMEYSEIVGLPQEEEIPANRKIKFSCAPIKVFNTYSNEDYDRRNDDVDPVAASAEYELEKRVEKLELFPVELEKDEDGLGISIIGMGVGADAGLEKLGIFVKTVTEGGAAQRDGRIQVNDQIVEVDGISLVGVTQNFAATVLRNTKGNVRFVIGRE

来源 Source

来源生物 organism	Rattus norvegicus
通用名 common_name	rat
NCBI Class编号 ncbi_taxonomy_id	10116
宿主生物 host_organism	Escherichia coli

Entity 3 Entity 3 non-polymer

Description description	MANGANESE (II) ION
Molecular weight formula_weight	54.9 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 4 Entity 4 non-polymer

Description description	PHOSPHATE ION
Molecular weight formula_weight	95.0 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 5 Entity 5 non-polymer

Description description	GLYCEROL
Molecular weight formula_weight	92.1 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	560

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7. Fold Classification (SCOP + CATH) 5 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d3hvqa_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.159 — Metallo-dependent phosphatases
Superfamily Superfamily superfamily	d.159.1 — Metallo-dependent phosphatases
Family Family family	d.159.1.3 — Protein serine/threonine phosphatase

Domain ID domain_id	d3hvqb_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.159 — Metallo-dependent phosphatases
Superfamily Superfamily superfamily	d.159.1 — Metallo-dependent phosphatases
Family Family family	d.159.1.3 — Protein serine/threonine phosphatase

CATH v4.4 (3 domains)

Domain ID domain_id	3hvqA00
Class class	3 — Alpha Beta
Architecture architecture	60 — 4-Layer Sandwich
Topology topology	21 — Purple Acid Phosphatase; chain A, domain 2
Homologous superfamily homologous superfamily	10 — Metallo-dependent phosphatases

Domain ID domain_id	3hvqB00
Class class	3 — Alpha Beta
Architecture architecture	60 — 4-Layer Sandwich
Topology topology	21 — Purple Acid Phosphatase; chain A, domain 2
Homologous superfamily homologous superfamily	10 — Metallo-dependent phosphatases

Domain ID domain_id	3hvqC01
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	120.864 Å
Unit-cell length b length_b	83.655 Å
Unit-cell length c length_c	108.797 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	93.59 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	C 1 2 1
Space-group number int_tables_number	5
Crystal system crystal_system	—

Resolution resolution	2.200 Å
Low-resolution limit resolution_low	20.000 Å
R factor r_factor	0.1639
R_work r_work	0.1608
R_free r_free	0.2213

fit	/app/data/saxs_computation/hv/3hvq/3hvq.fit
pddf	/app/data/pr_computation/hv/3hvq/3hvq.pr.out
profile	/app/data/saxs_computation/hv/3hvq/3hvq.dat

Crystal structure of a complex between Protein Phosphatase 1 alpha (PP1) and the PP1 binding and PDZ domains of Neurabin

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

Serine/threonine-protein phosphatase PP1-alpha catalytic subunit

State in the Current Structure

Other States of the Same Protein in the Database

Neurabin-1

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 (6)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 water

7. Fold Classification (SCOP + CATH) 5 domains

SCOP 2.08 (2 domains)

CATH v4.4 (3 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)