7s46

PAK4cat (D440N/S474E) in complex with Integrin beta5 760-770 peptide

Method: X-RAY DIFFRACTION D_max: 61.9 Å Quality: REASONABLE

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

Isoform 2 of Serine/threonine-protein kinase PAK 4

Homo sapiens

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 109–426	Mutation：D440N, S474E	Integrin beta-5 × 1 （P18084） ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Tris-HCl (pH 8.5) and 0.5 M tri-sodium citrate	Resolution 2.10 Å R-free 0.220

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 7S46	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2CDZ CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 IN COMPLEX WITH CGP74514A Deposited 2006-01-31	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 291–591（301 aa） Fragment：KINASE DOMAIN, RESIDUES 291-591	Non-standard monomer：Yes (specific site not provided by mmCIF)	23D N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.30 Å R-free 0.248
2J0I CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 Deposited 2006-08-03	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 291–591（301 aa） Fragment：KINASE DOMAIN, RESIDUES 291-591	Non-standard monomer：Yes (specific site not provided by mmCIF)	EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；150 UL SITTING DROPS, 4DEG, 0.2M K3(CIT), 0.1M BIS-TRIS PROPANE PH 6.5, 20% PEG3350, 10% ETHYLENE GLYCOL	Resolution 1.60 Å R-free 0.215
2OV2 The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4) Deposited 2007-02-12	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 I 10–44（35 aa） Fragment：CRIB domain	Not recorded	MG MAGNESIUM ION × 1 CL CHLORIDE ION × 2 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M Ammonium acetate, 0.1M Citrate, 30% PEG 4000, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.225
2OV2 The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4) Deposited 2007-02-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 10 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain I 10–44（35 aa） Fragment：CRIB domain Chain J 10–44（35 aa） Fragment：CRIB domain	Not recorded	MG MAGNESIUM ION × 2 CL CHLORIDE ION × 3 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M Ammonium acetate, 0.1M Citrate, 30% PEG 4000, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.225
2OV2 The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4) Deposited 2007-02-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 11 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain K 10–44（35 aa） Fragment：CRIB domain Chain L 10–44（35 aa） Fragment：CRIB domain	Not recorded	MG MAGNESIUM ION × 2 CL CHLORIDE ION × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 2 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M Ammonium acetate, 0.1M Citrate, 30% PEG 4000, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.225
2OV2 The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4) Deposited 2007-02-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 12 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain N 10–44（35 aa） Fragment：CRIB domain Chain O 10–44（35 aa） Fragment：CRIB domain	Not recorded	MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M Ammonium acetate, 0.1M Citrate, 30% PEG 4000, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.225
2OV2 The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4) Deposited 2007-02-12	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 J 10–44（35 aa） Fragment：CRIB domain	Not recorded	MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M Ammonium acetate, 0.1M Citrate, 30% PEG 4000, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.225
2OV2 The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4) Deposited 2007-02-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain K 10–44（35 aa） Fragment：CRIB domain	Not recorded	MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M Ammonium acetate, 0.1M Citrate, 30% PEG 4000, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.225
2OV2 The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4) Deposited 2007-02-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain L 10–44（35 aa） Fragment：CRIB domain	Not recorded	MG MAGNESIUM ION × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M Ammonium acetate, 0.1M Citrate, 30% PEG 4000, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.225
2OV2 The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4) Deposited 2007-02-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain M 10–44（35 aa） Fragment：CRIB domain	Not recorded	MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M Ammonium acetate, 0.1M Citrate, 30% PEG 4000, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.225
2OV2 The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4) Deposited 2007-02-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain N 10–44（35 aa） Fragment：CRIB domain	Not recorded	MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M Ammonium acetate, 0.1M Citrate, 30% PEG 4000, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.225
2OV2 The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4) Deposited 2007-02-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 7 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain O 10–44（35 aa） Fragment：CRIB domain	Not recorded	MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M Ammonium acetate, 0.1M Citrate, 30% PEG 4000, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.225
2OV2 The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4) Deposited 2007-02-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 8 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain P 10–44（35 aa） Fragment：CRIB domain	Not recorded	MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M Ammonium acetate, 0.1M Citrate, 30% PEG 4000, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.225
2OV2 The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4) Deposited 2007-02-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 9 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain M 10–44（35 aa） Fragment：CRIB domain Chain P 10–44（35 aa） Fragment：CRIB domain	Not recorded	MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M Ammonium acetate, 0.1M Citrate, 30% PEG 4000, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.225
2Q0N Structure of human p21 activating kinase 4 (PAK4) in complex with a consensus peptide Deposited 2007-05-22	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 291–591（301 aa） Fragment：Kinase domain, residues 291-591	Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；1.7M Ammonium sulfate, 15% PEG400, 1M Tris-HCl pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.75 Å R-free 0.228
2X4Z Crystal Structure of the Human p21-Activated Kinase 4 in Complex with PF-03758309 Deposited 2010-02-03	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 296–591（296 aa） Fragment：KINASE DOMAIN, RESIDUES 296-591	Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF)	GOL GLYCEROL × 2 7KC PF-3758309 × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.10 Å R-free 0.262
4APP Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide Deposited 2012-04-04	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 300–591（292 aa） Fragment：KINASE DOMAIN, RESIDUES 300-591	Non-standard monomer：Yes (specific site not provided by mmCIF)	N53 N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；294 K；CRYSTALS WERE GROWN FROM THE HANGING DROP VAPOR DIFFUSION METHOD AT 21 DEGREES CELCIUS BY MIXING 3.6 MICROLITERS OF A 10 MG/ML PROTEIN SOLUTION WITH A RESERVIOR SOLUTION CONTAINING: 5% (W/V) MEPEG 5K, 0.1 M IMIDAZOLE AT PH 6.2, 0.1 M (NH4)2HPO4 AND 5MM DTT	Resolution 2.20 Å R-free 0.229
4FIE Full-length human PAK4 Deposited 2012-06-08	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–423（423 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.1M HEPES, 500 mM K/Na tartrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 3.11 Å R-free 0.276
4FIE Full-length human PAK4 Deposited 2012-06-08	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 1–423（423 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.1M HEPES, 500 mM K/Na tartrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 3.11 Å R-free 0.276
4FIF Catalytic domain of human PAK4 with RPKPLVDP peptide Deposited 2012-06-08	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–318（318 aa） Chain C 49–56（8 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；0.1M MES, 700 mM K/Na tartrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.60 Å R-free 0.227
4FIF Catalytic domain of human PAK4 with RPKPLVDP peptide Deposited 2012-06-08	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 1–318（318 aa） Chain D 49–56（8 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；0.1M MES, 700 mM K/Na tartrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.60 Å R-free 0.227
4FIG Catalytic domain of human PAK4 Deposited 2012-06-08	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 1–318（318 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；0.1M MES, 700 mM K/Na tartrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 3.01 Å R-free 0.221
4FIG Catalytic domain of human PAK4 Deposited 2012-06-08	Different construct Different mutation/modification 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 1–318（318 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；0.1M MES, 700 mM K/Na tartrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 3.01 Å R-free 0.221
4FIH Catalytic domain of human PAK4 with QKFTGLPRQW peptide Deposited 2012-06-08	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 1–318（318 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.1M Tris-HCl, 1.5M Na acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 1.97 Å R-free 0.225
4FII Catalytic domain of human PAK4 with RPKPLVDP peptide Deposited 2012-06-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–318（318 aa） Chain B 49–56（8 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.1M Tris-HCl, 1.5M Na acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.00 Å R-free 0.240
4FIJ Catalytic domain of human PAK4 Deposited 2012-06-08	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 1–318（318 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.1M Tris-HCl, 1.5M Na acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.30 Å R-free 0.271
4JDH Crystal structure of Serine/threonine-protein kinase PAK 4 in complex with Paktide T peptide substrate Deposited 2013-02-25	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 286–591（306 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.1 M Tris-HCl, 1.5 - 2.0 M Na acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.00 Å R-free 0.224
4JDI Crystal structure of Serine/threonine-protein kinase PAK 4 in complex with Paktide S peptide substrate Deposited 2013-02-25	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 286–591（306 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.1 M Tris-HCl, 1.5 - 2.0 M Na acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 1.85 Å R-free 0.233
4JDJ Crystal structure of Serine/threonine-protein kinase PAK 4 F461V mutant in complex with Paktide T peptide substrate Deposited 2013-02-25	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 286–591（306 aa）	Mutation：F461V Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.1 M Tris-HCl, 1.5 - 2.0 M Na acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.30 Å R-free 0.244
4JDK Crystal structure of Serine/threonine-protein kinase PAK 4 F461V mutant in complex with Paktide S peptide substrate Deposited 2013-02-25	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 286–591（306 aa）	Mutation：F461V Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.1 M Tris-HCl, 1.5 - 2.0 M Na acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.40 Å R-free 0.249
4L67 Crystal Structure of Catalytic Domain of PAK4 Deposited 2013-06-12	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 300–591（292 aa） Fragment：UNP residues 300-591	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.1M Tris pH 8.5, 12%(M/V) PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	Resolution 2.80 Å R-free 0.333
4L67 Crystal Structure of Catalytic Domain of PAK4 Deposited 2013-06-12	Different construct Different mutation/modification 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 36–60（25 aa） Fragment：UNP residues 36-60	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.1M Tris pH 8.5, 12%(M/V) PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	Resolution 2.80 Å R-free 0.333
4NJD Structure of p21-activated kinase 4 with a novel inhibitor KY-04031 Deposited 2013-11-09	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 300–591（292 aa） Fragment：UNP residues 300-591	Non-standard monomer：Yes (specific site not provided by mmCIF)	NJD N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；297 K；0.6M sodium potassium tartrate, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K	Resolution 2.50 Å R-free 0.321
4O0V Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors Deposited 2013-12-14	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 300–591（292 aa） Fragment：unp residues 300-591	Non-standard monomer：Yes (specific site not provided by mmCIF)	2OL 1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl}ethynyl)cyclohexanol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.3；277 K；500 uL of 0.2 M Tri-Potassium citrate and 20% PEG3350 in the reservoir, and drops set up by mixing 1.0 uL of reservoir solution and 1.0 uL of protein, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.80 Å R-free 0.253
4O0X Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors Deposited 2013-12-14	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 300–591（292 aa） Fragment：unp residues 300-591	Non-standard monomer：Yes (specific site not provided by mmCIF)	2OQ 1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；277 K；0.2 M Tri-Potassium citrate and 20% PEG3350 in the reservoir, and drops set up by mixing 1.0 uL of reservoir solution and 1.0 uL of protein, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.48 Å R-free 0.242
4O0Y Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors Deposited 2013-12-14	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 300–591（292 aa） Fragment：unp residues 300-591	Non-standard monomer：Yes (specific site not provided by mmCIF)	2OO 4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；277 K；0.2 M Tri-Potassium citrate and 20% PEG3350 in the reservoir, and drops set up by mixing 1.0 uL of reservoir solution and 1.0 uL of protein, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.20 Å R-free 0.238
4XBR In cellulo Crystal Structure of PAK4 in complex with Inka Deposited 2014-12-17	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 A 278–591（314 aa） Fragment：UNP residues 166-203,UNP residues 278-591	Non-standard monomer：Yes (specific site not provided by mmCIF)	ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions IN CELL；310.15 K；In cellulo growth	Resolution 2.94 Å R-free 0.230
4XBU In vitro Crystal Structure of PAK4 in complex with Inka peptide Deposited 2014-12-17	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 286–591（306 aa） Fragment：UNP residues 286-591	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298.15 K；Tris-HCl, PEG 8000	Resolution 2.06 Å R-free 0.243
5BMS Crystal structure of P21-activated kinase 4 in complex with an inhibitor compound 29 Deposited 2015-05-22	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 300–591（292 aa） Fragment：Protein kinase domain residues 300-591	Non-standard monomer：Yes (specific site not provided by mmCIF)	4T6 N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M Tri-Potassium citrate and 20% PEG3350	Resolution 2.90 Å R-free 0.230
5I0B Structure of PAK4 Deposited 2016-02-03	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 300–591（292 aa） Fragment：UNP residues 300-591	Non-standard monomer：Yes (specific site not provided by mmCIF)	67U 6-bromo-2-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.8M sodium potassium tartrate, 0.1M TRIS pH 8.5	Resolution 3.09 Å R-free 0.269
5UPK CDC42 binds PAK4 via an extended GTPase-effector interface - 3 peptide: PAK4cat, PAK4-N45, CDC42 Deposited 2017-02-03	Different construct Different mutation/modification 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 1–45（45 aa） Fragment：UNP residues 1-45 Chain B 109–426（318 aa） Fragment：UNP residues 109-426	Non-standard monomer：Yes (specific site not provided by mmCIF)	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.1M HEPES pH 7.5, 22% PEG1,000	Resolution 2.40 Å R-free 0.264
5UPL CDC42 binds PAK4 via an extended GTPase-effector inteface - 2 peptide: PAK4FL, CDC42 - UNREFINED Deposited 2017-02-03	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 2–426（425 aa） Fragment：UNP residues 2-426	Mutation：S474SEP Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；0.1M Tris-HCl pH 8.5, 50mM Na2SO4, 6% PEG6000	Resolution 3.00 Å R-free 0.310
5VED PAK4 kinase domain in complex with Staurosporine Deposited 2017-04-04	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 286–591（306 aa） Fragment：UNP residues 286-591	Non-standard monomer：Yes (specific site not provided by mmCIF)	STU STAUROSPORINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M Tris-HCl (pH 7.5) and 1.5 - 2.0 M Na acetate	Resolution 2.30 Å R-free 0.277
5VEE PAK4 kinase domain in complex with FRAX486 Deposited 2017-04-04	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 286–591（306 aa） Fragment：UNP residues 286-591	Non-standard monomer：Yes (specific site not provided by mmCIF)	981 6-(2,4-dichlorophenyl)-8-ethyl-2-{[3-fluoro-4-(piperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M Tris-HCl (pH 7.5) and 1.5 - 2.0 M Na acetate	Resolution 2.50 Å R-free 0.276
5VEF PAK4 kinase domain in complex with fasudil Deposited 2017-04-04	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 286–591（306 aa） Fragment：UNP residues 286-591	Non-standard monomer：Yes (specific site not provided by mmCIF)	M77 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M Tris-HCl (pH 7.5) and 1.5 - 2.0 M Na acetate	Resolution 1.75 Å R-free 0.239
5XVA Crystal Structure of PAK4 in complex with inhibitor CZH216 Deposited 2017-06-27	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 300–591（292 aa） Fragment：PAK4 Kinase Domain (UNP RESIDUES 300-591)	Non-standard monomer：Yes (specific site not provided by mmCIF)	8FU [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone × 1 EOH ETHANOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；291 K；0.1 M Imidazole pH 6.5, 1.0 M sodium acetate trihydrate	Resolution 1.85 Å R-free 0.209
5XVF Crystal Structure of PAK4 in complex with inhibitor CZH062 Deposited 2017-06-27	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 300–588（289 aa） Fragment：PAK4 Kinase Domain (UNP RESIDUES 300-588)	Non-standard monomer：Yes (specific site not provided by mmCIF)	8FR 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；291 K；0.1 M HEPES pH 7.5, 25% PEG3350.	Resolution 2.65 Å R-free 0.251
5XVG Crystal Structure of PAK4 in complex with inhibitor CZH226 Deposited 2017-06-27	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 300–591（292 aa） Fragment：PAK4 Kinase Domain (UNP RESIDUES 300-591)	Non-standard monomer：Yes (specific site not provided by mmCIF)	8FX [6-chloranyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone × 1 EOH ETHANOL × 5 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；291 K；0.1 M HEPES pH 7.5, 0.5M Magnesium formate dihydrate	Resolution 2.10 Å R-free 0.235
5ZJW Crystal Structure of PAK4 in complex with inhibitor CZg353 Deposited 2018-03-22	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 300–591（292 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	9EO (3Z)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1H-imidazol-2-yl)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide × 1 EDO 1,2-ETHANEDIOL × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 BCT BICARBONATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；291 K；0.1 M Bis-tris pH 6.5, 25% PEG 3350, 0.2 M NaCl	Resolution 1.80 Å R-free 0.215
6WLX PAK4 kinase domain in complex with beta-catenin Ser675 substrate peptide Deposited 2020-04-20	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 109–426（318 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.1M Tris-HCl, 2M Na acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K, 5mM peptide	Resolution 2.20 Å R-free 0.229
6WLY PAK4 kinase domain in complex with LIMK1 Thr508 substrate peptide Deposited 2020-04-20	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 109–426（318 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.1M Tris-HCl, 2M Na acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K, 2mM peptide	Resolution 1.90 Å R-free 0.205
7CMB Crystal Structure of PAK4 in complex with inhibitor 41 Deposited 2020-07-26	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 300–591（292 aa） Fragment：PAK4 Kinase Domain	Non-standard monomer：Yes (specific site not provided by mmCIF)	G5X 1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；291 K；0.2M Ammonium sulfate, 0.1M Tris pH 8.5, 25% PEG3350	Resolution 2.59 Å R-free 0.251
7CP3 Crystal Structure of PAK4 in complex with inhibitor 47 Deposited 2020-08-05	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 300–591（292 aa） Fragment：PAK4 Kinase Domain	Non-standard monomer：Yes (specific site not provided by mmCIF)	GC6 [(3R)-3-azanylpiperidin-1-yl]-[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]methanone × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；291 K；0.1M Tris pH 8.5, 25% PEG 3350	Resolution 2.90 Å R-free 0.267
7CP4 Crystal Structure of PAK4 in complex with inhibitor 55 Deposited 2020-08-06	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 300–591（292 aa） Fragment：Protein kinase domain	Non-standard monomer：Yes (specific site not provided by mmCIF)	GCC [1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3S)-3-methylpiperazin-1-yl]methanone × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；291 K；0.2M Ammonium sulfate, 0.1M Bis-tris 5.5, 25% PEG 3350, 0.1M Guanidine hydrochloride	Resolution 2.50 Å R-free 0.252
7S48 PAK4cat in complex with Integrin beta5 760-770 peptide Deposited 2021-09-08	Different mutation/modification Different ligand/ion Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 109–426（318 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Tris-HCl (pH 8.5) and 0.5 M tri-sodium citrate	Resolution 1.90 Å R-free 0.222
8AHG PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery Deposited 2022-07-21	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 300–591（292 aa）	Mutation：L310A Non-standard monomer：Yes (specific site not provided by mmCIF)	M4I ~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.8M Na/K tartrate 0.1M Tris pH 8.5	Resolution 1.89 Å R-free 0.227
8AHH PAC FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery Deposited 2022-07-21	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 300–591（292 aa）	Mutation：L310A Non-standard monomer：Yes (specific site not provided by mmCIF)	M4X 5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.8M Na/K tartrate 0.1M Tris pH 8.5	Resolution 2.04 Å R-free 0.250
8AHI PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery Deposited 2022-07-21	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 300–591（292 aa）	Mutation：L310A Non-standard monomer：Yes (specific site not provided by mmCIF)	M56 ~{N}-methyl-1,3-benzothiazole-6-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.8M Na/K tartrate 0.1M Tris pH 8.5	Resolution 2.69 Å R-free 0.249
8YHK The Crystal Structure of P21-Activated Kinases Pak4 from Biortus Deposited 2024-02-28	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 291–591（301 aa）	Not recorded	PGE TRIETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.4 M Potassium sodium tartrate tetrahydrate	Resolution 3.30 Å R-free 0.319
9D52 Structure of PAK4 in complex with compound 18 Deposited 2024-08-13	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 300–591（292 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	A1A2R 2-cyano-N-[3-({6-[(5-cyclopropyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl}amino)bicyclo[1.1.1]pentan-1-yl]acetamide × 1 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES pH 7.5, 4% (v/v) PEG 8000	Resolution 2.45 Å R-free 0.287
9D53 PAK4 in complex with compound 7 Deposited 2024-08-13	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 300–591（292 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	A1A2P N~2~-{[(1s,4s)-4-aminocyclohexyl]methyl}-N~4~-(5-cyclopropyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Bis-Tris-Propane, pH 9.0, 10% PEG 20,000	Resolution 2.47 Å R-free 0.263

46 other PDB entries and 61 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	PAK4_HUMAN
Isoform	O96013-2
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 29–346； UniProt 109–426

Integrin beta-5

OrganismNot specified

UniProt P18084

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 760–770	Not recorded	Isoform 2 of Serine/threonine-protein kinase PAK 4 × 1 （O96013） ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Tris-HCl (pH 8.5) and 0.5 M tri-sodium citrate	Resolution 2.10 Å R-free 0.220

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 7S46	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
7S47 Integrin beta5(743-774)-linker-PAK4cat(D440N/S474E) Deposited 2021-09-08	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 743–774（32 aa） Chain B 743–774（32 aa）	Mutation：D440N,S474E	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM sodium acetate pH 4.0, 0.7 M diammonium phosphate	Resolution 2.00 Å R-free 0.237
7S48 PAK4cat in complex with Integrin beta5 760-770 peptide Deposited 2021-09-08	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 760–770（11 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Tris-HCl (pH 8.5) and 0.5 M tri-sodium citrate	Resolution 1.90 Å R-free 0.222

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

View Construct and Data Evidence

UniProt name	ITB5_HUMAN
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 1–11； UniProt 760–770

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	7s46
Deposition date deposition_date	2021-09-08
Structure title title	PAK4cat (D440N/S474E) in complex with Integrin beta5 760-770 peptide
Keywords keywords	serine/threonine kinase, TRANSFERASE; TRANSFERASE
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	20.15 Å
Radius of gyration Rg (electron density) rg_electron	19.13 Å
Forward intensity I(0) i0	19391000.00
Molecular weight molecular_weight	33844.0 kDa
Excluded volume excluded_volume	42639 Å³
Envelope volume envelope_volume	48474 Å³
Hydration-shell volume shell_volume	21005 Å³
Envelope diameter envelope_diameter	62.4 Å
Shell Rg shell_rg	25.69 Å
Envelope Rg envelope_rg	19.29 Å
Shape Rg shape_rg	19.13 Å
Total Rg total_rg	20.01 Å
Total atoms total_atoms	2377
Residues n_residues	299
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	61.9 Å
Rg (real space) rg_real	20.05 Å
Rg uncertainty (real space) rg_real_error	0.35 Å
I(0) (real space) i0_real	1.9390e+07
I(0) uncertainty (real space) i0_real_error	2.2720e+05
Rg (reciprocal space) rg_reciprocal	20.07 Å
I(0) (reciprocal space) i0_reciprocal	19390000.0000
Solution quality estimate total_estimate	0.6870
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	25.6 Å
Skewness Skewness skewness	0.203
Kurtosis Kurtosis kurtosis	-0.385
Angular range angular_range	— – 0.3950 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	5859000.0000
Real-space data points n_real_points	71
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.909; Stabil: 0.998; Sysdev: 0.406; Positv: 1.000; Valcen: 0.990; Smooth: 0.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Description description	Isoform 2 of Serine/threonine-protein kinase PAK 4
Molecular weight formula_weight	39084.2 kDa
EC 编号 ec_number	2.7.11.1
Mutation mutation	D440N, S474E
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	2444

MGSSHHHHHHSSGLVPRGSHMENLYFQGARARQENGMPEKPPGPRSPQREPQRVSHEQFRAALQLVVDPGDPRSYLDNFIKIGEGSTGIVCIATVRSSGKLVAVKKMDLRKQQRRELLFNEVVIMRDYQHENVVEMYNSYLVGDELWVVMEFLEGGALTDIVTHTRMNEEQIAAVCLAVLQALSVLHAQGVIHRNIKSDSILLTHDGRVKLSDFGFCAQVSKEVPRRKELVGTPYWMAPELISRLPYGPEVDIWSLGIMVIEMVDGEPPYFNEPPLKAMKMIRDNLPPRLKNLHKVSPSLKGFLDRLLVRDPAQRATAAELLKHPFLAKAGPPASIVPLMRQNRTR

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	Integrin beta-5
Molecular weight formula_weight	1358.5 kDa
Source method src_method	syn
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

ERSRARYEMAS

Entity 3 Entity 3 non-polymer

Description description	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Molecular weight formula_weight	506.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	67

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8. Citations (1)

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Unit-cell length a length_a	61.821 Å
Unit-cell length b length_b	61.821 Å
Unit-cell length c length_c	178.829 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	P 41 21 2
Space-group number int_tables_number	92
Crystal system crystal_system	—

Resolution resolution	2.100 Å
Low-resolution limit resolution_low	50.010 Å
R factor r_factor	0.1822
R_work r_work	0.1802
R_free r_free	0.2197

fit	/app/data/saxs_computation/s4/7s46/7s46.fit
pddf	/app/data/pr_computation/s4/7s46/7s46.pr.out
profile	/app/data/saxs_computation/s4/7s46/7s46.dat

PAK4cat (D440N/S474E) in complex with Integrin beta5 760-770 peptide

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

Isoform 2 of Serine/threonine-protein kinase PAK 4

State in the Current Structure

Other States of the Same Protein in the Database

Integrin beta-5

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 (4)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 water

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)