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4nus

Rsk2 N-terminal kinase in complex with LJH685

Method: X-RAY DIFFRACTION Dmax: 80.6 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Ribosomal protein S6 kinase alpha-3

Homo sapiens

UniProt P51812

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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 39–359 Fragment：N-terminal domain (UNP residues 39-359) 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

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 4NUS 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 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 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 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 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 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
4NW5 Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 8 Deposited 2013-12-05 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 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 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 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 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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
8EQ5 Crystal structure of the N-terminal kinase domain of RSK2 in complex with SPRED2 (131-160) Deposited 2022-10-07 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 46–346（301 aa）
Not recorded 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
8R58 The RSK 2 N-terminal kinase domain in complex with BMF (1-19) Deposited 2023-11-16 Different construct Different oligomeric state 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 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 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 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 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 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 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 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 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 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 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 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 3–323； UniProt 39–359

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

SAXS scattering curve SAXS Profile

SAXS profile for 4nus

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4nus
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4nus
Deposition date deposition_date2013-12-04
Structure title titleRsk2 N-terminal kinase in complex with LJH685
Keywords keywordskinase, TRANSFERASE-TRANSFERASE INHIBITOR complex; TRANSFERASE/TRANSFERASE INHIBITOR
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier22.24 Å
Radius of gyration Rg (electron density) rg_electron21.19 Å
Forward intensity I(0) i019014700.00
Molecular weight molecular_weight34345.0 kDa
Excluded volume excluded_volume43536 ų
Envelope volume envelope_volume55752 ų
Hydration-shell volume shell_volume22103 ų
Envelope diameter envelope_diameter87.3 Å
Shell Rg shell_rg27.45 Å
Envelope Rg envelope_rg22.77 Å
Shape Rg shape_rg21.20 Å
Total Rg total_rg22.04 Å
Total atoms total_atoms2426
Residues n_residues301
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax80.6 Å
Rg (real space) rg_real22.31 Å
Rg uncertainty (real space) rg_real_error0.68 Å
I(0) (real space) i0_real1.9010e+07
I(0) uncertainty (real space) i0_real_error2.4650e+05
Rg (reciprocal space) rg_reciprocal22.29 Å
I(0) (reciprocal space) i0_reciprocal19010000.0000
Solution quality estimate total_estimate0.6394
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary25.6 Å
Skewness Skewness skewness0.551
Kurtosis Kurtosis kurtosis0.211
Angular range angular_range— – 0.3550 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha4529000.0000
Real-space data points n_real_points67
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.621; Stabil: 1.000; Sysdev: 0.189; Positv: 1.000; Valcen: 0.950; Smooth: 0.927
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd4nusa_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamilyd.144.1 — Protein kinase-like (PK-like)
Family Family familyd.144.1.0 — automated matches

CATH v4.4 (2 domains)

Domain ID domain_id4nusA01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id4nusA02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1
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8. Citations (1)

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9. Files and Curves (10)