8eq5

Crystal structure of the N-terminal kinase domain of RSK2 in complex with SPRED2 (131-160)

Method: X-RAY DIFFRACTION D_max: 65.3 Å Quality: GOOD

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

Ribosomal protein S6 kinase alpha-3

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 46–346	Not recorded	Sprouty-related, EVH1 domain-containing protein 2 × 1 （Q7Z698） QCT 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；30% w/v PEG 2K MME, 0.1 M Tris, pH 8.0	Resolution 1.80 Å R-free 0.225

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 8EQ5	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
4D9T Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate Deposited 2012-01-12	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 399–740（342 aa） Fragment：C-terminal kinase domain, UNP residues 399-740	Not recorded	0JG methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions hanging drop；pH 8.5；298 K；100mM Tris, pH 8.5, 25% PEG 3350, hanging drop, temperature 298K	Resolution 2.40 Å R-free 0.267
4D9T Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate Deposited 2012-01-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 399–740（342 aa） Fragment：C-terminal kinase domain, UNP residues 399-740	Not recorded	0JG methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate × 2 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions hanging drop；pH 8.5；298 K；100mM Tris, pH 8.5, 25% PEG 3350, hanging drop, temperature 298K	Resolution 2.40 Å R-free 0.267
4D9U Rsk2 C-terminal Kinase Domain, (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate Deposited 2012-01-12	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 399–740（342 aa） Fragment：UNP residues 399-740	Not recorded	0JH tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions hanging drop；pH 8.5；298 K；100mM Tris, pH 8.5, 25% PEG 3350, hanging drop, temperature 298K	Resolution 2.40 Å R-free 0.276
4D9U Rsk2 C-terminal Kinase Domain, (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate Deposited 2012-01-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 399–740（342 aa） Fragment：UNP residues 399-740	Not recorded	0JH tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate × 2 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions hanging drop；pH 8.5；298 K；100mM Tris, pH 8.5, 25% PEG 3350, hanging drop, temperature 298K	Resolution 2.40 Å R-free 0.276
4JG6 RSK2 CTD bound to 2-cyano-3-(1H-indazol-5-yl)acrylamide Deposited 2013-02-28	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 399–740（342 aa）	Not recorded	1LB (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；100 mM HEPES, 50 mM Ammonium Sulfate, 7.5% PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.60 Å R-free 0.299
4JG7 Structure of RSK2 CTD bound to 3-(3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl)-2-cyanoacrylamide Deposited 2013-02-28	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 399–740（342 aa）	Not recorded	1LC (2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；100 mM HEPES, 50 mM Ammonium Sulfate, 7.5% PEG3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 3.00 Å R-free 0.298
4JG8 Structure of RSK2 T493M CTD mutant bound to 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl)acrylamide Deposited 2013-02-28	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 399–740（342 aa）	Mutation：T493M	1LE (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；100 mM HEPES, 50 mM Ammonium Sulfate, 7.5% PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 3.10 Å R-free 0.298
4NUS Rsk2 N-terminal kinase in complex with LJH685 Deposited 2013-12-04	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 39–359（321 aa） Fragment：N-terminal domain (UNP residues 39-359)	Not recorded	2NK 2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；12-24% PEG3350, 100 mM sodium malonate pH 5-7, microseeding, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 2.39 Å R-free 0.231
4NW5 Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 8 Deposited 2013-12-05	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 39–359（321 aa） Fragment：N-terminal domain (UNP residues 39-359)	Not recorded	2NR 7-(2-fluoro-6-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；7-8 mg/mL protein mixed 1:1:0.5 with 12-24% PEG3350 plus 100 mM sodium malonate pH 5-7 and microseeds, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.94 Å R-free 0.219
4NW6 Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27 Deposited 2013-12-05	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 39–359（321 aa） Fragment：N-terminal domail (UNP residues 39-359)	Not recorded	2NS 7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；7-8 mg/mL protein mixed 1:1:0.5 with 12-24% PEG3350 plus 100 mM sodium malonate pH 5-7 and microseeds, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.74 Å R-free 0.201
5D9K Rsk2 N-terminal Kinase in Complex with BI-D1870 Deposited 2015-08-18	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 39–366（328 aa） Fragment：N-terminal kinase (UNP residues 39-366)	Not recorded	584 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；291 K；20% PEG3350, 0.075 M lithium citrate	Resolution 2.55 Å R-free 0.227
5D9K Rsk2 N-terminal Kinase in Complex with BI-D1870 Deposited 2015-08-18	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 39–366（328 aa） Fragment：N-terminal kinase (UNP residues 39-366)	Not recorded	584 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；291 K；20% PEG3350, 0.075 M lithium citrate	Resolution 2.55 Å R-free 0.227
5D9L Rsk2 N-terminal Kinase in Complex with bis-phenol pyrazole Deposited 2015-08-18	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 39–359（321 aa） Fragment：N-terminal kinase (UNP residues 39-359)	Not recorded	583 4,4'-(1H-pyrazole-3,4-diyl)diphenol × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；291 K；20% PEG3350, 0.2 M lithium citrate	Resolution 2.15 Å R-free 0.224
7OPO RSK2 N-terminal kinase domain in complex with ORF45 Deposited 2021-06-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 39–351（313 aa）	Not recorded	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；12 %PEG 6000, HEPES pH 7.5, 0.75M NaCl in reservoir	Resolution 2.75 Å R-free 0.232
7OPO RSK2 N-terminal kinase domain in complex with ORF45 Deposited 2021-06-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 39–351（313 aa）	Not recorded	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；12 %PEG 6000, HEPES pH 7.5, 0.75M NaCl in reservoir	Resolution 2.75 Å R-free 0.232
7OPO RSK2 N-terminal kinase domain in complex with ORF45 Deposited 2021-06-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 39–351（313 aa）	Not recorded	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；12 %PEG 6000, HEPES pH 7.5, 0.75M NaCl in reservoir	Resolution 2.75 Å R-free 0.232
7OPO RSK2 N-terminal kinase domain in complex with ORF45 Deposited 2021-06-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain G 39–351（313 aa）	Not recorded	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；12 %PEG 6000, HEPES pH 7.5, 0.75M NaCl in reservoir	Resolution 2.75 Å R-free 0.232
7OPO RSK2 N-terminal kinase domain in complex with ORF45 Deposited 2021-06-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain I 39–351（313 aa）	Not recorded	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；12 %PEG 6000, HEPES pH 7.5, 0.75M NaCl in reservoir	Resolution 2.75 Å R-free 0.232
7OPO RSK2 N-terminal kinase domain in complex with ORF45 Deposited 2021-06-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain K 39–351（313 aa）	Not recorded	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；12 %PEG 6000, HEPES pH 7.5, 0.75M NaCl in reservoir	Resolution 2.75 Å R-free 0.232
8R58 The RSK 2 N-terminal kinase domain in complex with BMF (1-19) Deposited 2023-11-16	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 39–351（313 aa）	Not recorded	QCT 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；25% PEG 550, 0,1M Tris pH 8.5, 10% isopropanol, 1.25 M NaCl as reservoir	Resolution 2.31 Å R-free 0.263
8XEY The Crystal Structure of C-terminal kinase domain of RSK2 from Biortus Deposited 2023-12-13	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 400–740（341 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Tris pH8.5, 25%PEG3,350	Resolution 2.65 Å R-free 0.280
8XFY The Crystal Structure of RSK2 from Biortus. Deposited 2023-12-14	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 40–359（320 aa）	Not recorded	A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M sodium malonate pH6.75, 18% PEG 3350	Resolution 3.20 Å R-free 0.303
8XFY The Crystal Structure of RSK2 from Biortus. Deposited 2023-12-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 10 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain J 40–359（320 aa）	Not recorded	A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M sodium malonate pH6.75, 18% PEG 3350	Resolution 3.20 Å R-free 0.303
8XFY The Crystal Structure of RSK2 from Biortus. Deposited 2023-12-14	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 40–359（320 aa）	Not recorded	A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M sodium malonate pH6.75, 18% PEG 3350	Resolution 3.20 Å R-free 0.303
8XFY The Crystal Structure of RSK2 from Biortus. Deposited 2023-12-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 40–359（320 aa）	Not recorded	A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M sodium malonate pH6.75, 18% PEG 3350	Resolution 3.20 Å R-free 0.303
8XFY The Crystal Structure of RSK2 from Biortus. Deposited 2023-12-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 40–359（320 aa）	Not recorded	A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M sodium malonate pH6.75, 18% PEG 3350	Resolution 3.20 Å R-free 0.303
8XFY The Crystal Structure of RSK2 from Biortus. Deposited 2023-12-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain E 40–359（320 aa）	Not recorded	A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M sodium malonate pH6.75, 18% PEG 3350	Resolution 3.20 Å R-free 0.303
8XFY The Crystal Structure of RSK2 from Biortus. Deposited 2023-12-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain F 40–359（320 aa）	Not recorded	A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M sodium malonate pH6.75, 18% PEG 3350	Resolution 3.20 Å R-free 0.303
8XFY The Crystal Structure of RSK2 from Biortus. Deposited 2023-12-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain G 40–359（320 aa）	Not recorded	A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M sodium malonate pH6.75, 18% PEG 3350	Resolution 3.20 Å R-free 0.303
8XFY The Crystal Structure of RSK2 from Biortus. Deposited 2023-12-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain H 40–359（320 aa）	Not recorded	A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M sodium malonate pH6.75, 18% PEG 3350	Resolution 3.20 Å R-free 0.303
8XFY The Crystal Structure of RSK2 from Biortus. Deposited 2023-12-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 9 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain I 40–359（320 aa）	Not recorded	A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M sodium malonate pH6.75, 18% PEG 3350	Resolution 3.20 Å R-free 0.303

14 other PDB entries and 31 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	KS6A3_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 5–305； UniProt 46–346

Sprouty-related, EVH1 domain-containing protein 2

OrganismNot specified

UniProt Q7Z698

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 131–160	Fragment：Residues 131-160	Ribosomal protein S6 kinase alpha-3 × 1 （P51812） QCT 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；30% w/v PEG 2K MME, 0.1 M Tris, pH 8.0	Resolution 1.80 Å R-free 0.225

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 8EQ5	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2JP2 Solution structure and resonance assignment of the N-terminal EVH1 domain from the human Spred2 protein (Sprouty-related protein with EVH1 domain isoform 2) Deposited 2007-04-18	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 1–124（124 aa） Fragment：EVH1/WH1 domain, sequence database residues 1-124	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6；298 K；Ionic strength (raw mmCIF value) 0.05；Pressure ambient NMR sample composition 1 mM [U-100% 15N] Spred2 EVH1, 20 mM sodium phosphate, 50 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 1 mM [U-100% 13C; U-100% 15N] Spred2 EVH1, 20 mM sodium phosphate, 50 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 1 mM [U-100% 13C; U-100% 15N] Spred2 EVH1, 20 mM sodium phosphate, 50 mM sodium chloride, 0.1 % sodium azide, 100% D2O \| 100% D2O NMR sample composition 1 mM [U-100% 15N] Spred2 EVH1, 20 mM sodium phosphate, 50 mM sodium chloride, 0.1 % sodium azide, 100% D2O \| 100% D2O	Resolution not provided

1 other PDB entries and 1 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	SPRE2_HUMAN
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 1–30； UniProt 131–160

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	8eq5
Deposition date deposition_date	2022-10-07
Structure title title	Crystal structure of the N-terminal kinase domain of RSK2 in complex with SPRED2 (131-160)
Keywords keywords	Kinase, SPRED, Complex, cell signaling, ERK/MEK pathway, 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	20.54 Å
Radius of gyration Rg (electron density) rg_electron	19.35 Å
Forward intensity I(0) i0	18166000.00
Molecular weight molecular_weight	33402.0 kDa
Excluded volume excluded_volume	42314 Å³
Envelope volume envelope_volume	49403 Å³
Hydration-shell volume shell_volume	21161 Å³
Envelope diameter envelope_diameter	66.2 Å
Shell Rg shell_rg	25.94 Å
Envelope Rg envelope_rg	19.56 Å
Shape Rg shape_rg	19.32 Å
Total Rg total_rg	20.42 Å
Total atoms total_atoms	2360
Residues n_residues	295
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	65.3 Å
Rg (real space) rg_real	20.44 Å
Rg uncertainty (real space) rg_real_error	0.37 Å
I(0) (real space) i0_real	1.8170e+07
I(0) uncertainty (real space) i0_real_error	2.2830e+05
Rg (reciprocal space) rg_reciprocal	20.46 Å
I(0) (reciprocal space) i0_reciprocal	18170000.0000
Solution quality estimate total_estimate	0.8175
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	64.3 Å
Skewness Skewness skewness	0.214
Kurtosis Kurtosis kurtosis	-0.357
Angular range angular_range	— – 0.3850 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	5010000.0000
Real-space data points n_real_points	70
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.877; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; 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	Ribosomal protein S6 kinase alpha-3
Molecular weight formula_weight	35070.8 kDa
EC 编号 ec_number	2.7.11.1
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	2514

GAMGSIKEIAITHHVKEGHEKADPSQFELLKVLGQGSFGKVFLVKKISGSDARQLYAMKVLKKATLKVRDRVRTKMERDILVEVNHPFIVKLHYAFQTEGKLYLILDFLRGGDLFTRLSKEVMFTEEDVKFYLAELALALDHLHSLGIIYRDLKPENILLDEEGHIKLTDFGLSKESIDHEKKAYSFCGTVEYMAPEVVNRRGHTQSADWWSFGVLMFEMLTGTLPFQGKDRKETMTMILKAKLGMPQFLSPEAQSLLRMLFKRNPANRLGAGPDGVEEIKRHSFFSTIDWNKLYRREIHPPFKP

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 BL21(DE3)

Entity 2 Entity 2 polymer

Description description	Sprouty-related, EVH1 domain-containing protein 2
Molecular weight formula_weight	3245.3 kDa
Source method src_method	syn
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

STIHNEAELGDDDVFTTATDSSSNSSQKRE

Entity 3 Entity 3 non-polymer

Description description	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside
Molecular weight formula_weight	448.4 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	139

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7. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

Domain ID domain_id	8eq5A01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

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8. Citations (1)

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Unit-cell length a length_a	83.438 Å
Unit-cell length b length_b	41.105 Å
Unit-cell length c length_c	99.258 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	113.87 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

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

Resolution resolution	1.800 Å
Low-resolution limit resolution_low	49.390 Å
R factor r_factor	0.1850
R_work r_work	0.1830
R_free r_free	0.2250

fit	/app/data/saxs_computation/eq/8eq5/8eq5.fit
pddf	/app/data/pr_computation/eq/8eq5/8eq5.pr.out
profile	/app/data/saxs_computation/eq/8eq5/8eq5.dat

Crystal structure of the N-terminal kinase domain of RSK2 in complex with SPRED2 (131-160)

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

Ribosomal protein S6 kinase alpha-3

State in the Current Structure

Other States of the Same Protein in the Database

Sprouty-related, EVH1 domain-containing protein 2

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

7. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)