SAXSdb — 5csi

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

Protein S100-B

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 × 3 PDB declaration: trimeric（3） Consistent with protein copy count	Chain A； UniProt 1–92 Chain B； UniProt 1–92	Not recorded	Ribosomal protein S6 kinase alpha-1 × 1 （Q15418） CA CALCIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；296 K；0.1 M Hepes 7, 150 mM NaCl, 20% PEG6000	Resolution 2.13 Å R-free 0.250

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 5CSI	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1MQ1 Ca2+-S100B-TRTK-12 complex Deposited 2002-09-13	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–91（91 aa） Chain B 1–91（91 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7.05；308 K；Ionic strength (raw mmCIF value) 35 mM KCl；Pressure ambient NMR sample composition U-13C, U-15N S100B (1.0 mM) unlabelled TRTK-12 (1.2 mM) 3 mM CaCl2 \| 90% H20, 10% D20 NMR sample composition U-2H, U-15N S100B (0.35 mM) unlabelled TRTK-12 (0.80 mM) 1 mM CaCl2 \| 90% H20, 10% D20 NMR sample composition U-13C, U-15N S100B (1.0 mM) 13C-acetyl, 13C-Ile TRTK-12 (1.2 mM) 3 mM CaCl2 \| 90% H20, 10% D20 NMR sample composition U-13C/U-12C S100B heterodimer (1.0mM) Unlabelled TRTK-12 (1.2 mM) 3 mM CaCl2 \| 90% H20, 10% D20	Resolution not provided
1UWO CALCIUM FORM OF HUMAN S100B, NMR, 20 STRUCTURES Deposited 1997-12-05	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–91（91 aa） Chain B 1–91（91 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7.05；308 K	Resolution not provided
2H61 X-ray structure of human Ca2+-loaded S100B Deposited 2006-05-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 0–91（92 aa） Chain B 0–91（92 aa） Chain C 0–91（92 aa） Chain D 0–91（92 aa） Chain E 0–91（92 aa） Chain F 0–91（92 aa） Chain G 0–91（92 aa） Chain H 0–91（92 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 18 PG4 TETRAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；289 K；0.1 M HEPES, 18-20%PEG400, 0.2 M CaCl2, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 289K	Resolution 1.90 Å R-free 0.241
2M49 Structural Insights into Human S100B and Basic Fibroblast Growth Factor (FGF2) Interaction Deposited 2013-02-03	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 2–92（91 aa） Chain D 2–92（91 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7.2；298 K；Ionic strength (raw mmCIF value) 0.050；Pressure ambient NMR sample composition 1.2 mM [U-100% 13C; U-100% 15N] S100B-1, 20 mM TRIS-2, 50 mM ammonium sulfate-3, 5 mM calcium chloride-4, 5 mM DTT-5, 0.01 % sodium azide-6, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
2PRU NMR Structure of Human apoS100B at 10C Deposited 2007-05-04	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–92（91 aa） Chain B 2–92（91 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7.2；283 K；Ionic strength (raw mmCIF value) 50 mM；Pressure ambient NMR sample composition 1-2 mM U-13C,U-15N S100B, 50 mM KCl, 90%H2O/10%D2O \| 90% H2O/10% D2O NMR sample composition 0.7 mM U-15N S100B, 50 mM KCl, 12 mg/ml PF1 Phage, 90%H2O/10%D2O \| 90% H2O/10% D2O	Resolution not provided
3CZT Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 9 Deposited 2008-04-30	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 X 1–92（92 aa）	Not recorded	CA CALCIUM ION × 6 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；291 K；0.02 M TAPS, pH 9.0, 30% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 1.40 Å R-free 0.222
3D0Y Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 6.5 Deposited 2008-05-02	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 1–92（92 aa） Chain B 1–92（92 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 4 ZN ZINC ION × 2 PG4 TETRAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；289 K；0.1 M MES pH 6.5 21% PEG5000MME, VAPOR DIFFUSION, SITTING DROP, temperature 289K	Resolution 1.50 Å R-free 0.261
3D10 Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 10.0 Deposited 2008-05-02	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 1–92（92 aa） Chain B 1–92（92 aa）	Not recorded	CA CALCIUM ION × 4 ZN ZINC ION × 2 PGE TRIETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10；291 K；0.02 M CAPS pH 10.0, 23% PEG5000MME, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 1.65 Å R-free 0.275
3HCM Crystal structure of human S100B in complex with S45 Deposited 2009-05-06	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 1–92（92 aa） Chain B 1–92（92 aa）	Not recorded	CA CALCIUM ION × 4 S45 (3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine × 2 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；298 K；0.1M sodium acetate, 0.02M calcium chloride, 45% methylpenthanediol, pH4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.00 Å R-free 0.311
4XYN X-ray structure of Ca(2+)-S100B with human RAGE-derived W61 peptide Deposited 2015-02-02	Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–92（92 aa） Chain B 1–92（92 aa）	Not recorded	CA CALCIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；0.1M Na cacodylate, pH 6.8, 25% w/v PEG 3350, 9mM CaCl2	Resolution 2.55 Å R-free 0.254
4XYN X-ray structure of Ca(2+)-S100B with human RAGE-derived W61 peptide Deposited 2015-02-02	Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain C 1–92（92 aa） Chain D 1–92（92 aa）	Not recorded	CA CALCIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；0.1M Na cacodylate, pH 6.8, 25% w/v PEG 3350, 9mM CaCl2	Resolution 2.55 Å R-free 0.254
5CSF S100B-RSK1 crystal structure A Deposited 2015-07-23	Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–92（92 aa） Chain B 1–92（92 aa）	Not recorded	CA CALCIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；0.1 M Hepes 7, 150 mM NaCl, 20% PEG6000	Resolution 2.40 Å R-free 0.291
5CSJ S100B-RSK1 crystal structure B Deposited 2015-07-23	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–92（92 aa） Chain B 1–92（92 aa）	Not recorded	CA CALCIUM ION × 4 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；0.1 M Hepes 7, 150 mM NaCl, 20% PEG6000	Resolution 2.70 Å R-free 0.276
5CSN S100B-RSK1 crystal structure C Deposited 2015-07-23	Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–92（92 aa） Chain B 1–92（92 aa）	Not recorded	CA CALCIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；0.1 M Hepes 7, 150 mM NaCl, 20% PEG6000	Resolution 2.95 Å R-free 0.279
5D7F X-ray structure of Ca(2+)-S100B with human RAGE-derived W72 peptide Deposited 2015-08-13	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–92（92 aa） Chain B 1–92（92 aa）	Not recorded	CA CALCIUM ION × 4 GOL GLYCEROL × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；100mM Na cacodylate pH 6.8, 22% w/v PEG 3350, 5mM CaCl2	Resolution 1.30 Å R-free 0.183

14 other PDB entries and 15 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	S100B_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 4–95； UniProt 1–92 Author chain B； PDBConstruct 4–95； UniProt 1–92

Ribosomal protein S6 kinase alpha-1

Homo sapiens

UniProt Q15418

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 × 3 PDB declaration: trimeric（3） Consistent with protein copy count	Chain C； UniProt 689–735	Fragment：UNP residues 689-735	Protein S100-B × 2 （P04271） CA CALCIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；296 K；0.1 M Hepes 7, 150 mM NaCl, 20% PEG6000	Resolution 2.13 Å R-free 0.250

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 5CSI	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2WNT Crystal Structure of the Human Ribosomal protein S6 kinase Deposited 2009-07-20	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 413–719（307 aa） Fragment：RESIDUES 413-719 Chain B 413–719（307 aa） Fragment：RESIDUES 413-719	Not recorded	NA SODIUM ION × 3 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2	X-RAY DIFFRACTION X-ray crystallization conditions 20% PEG 3350, 0.20M NA(FORM)	Resolution 2.40 Å R-free 0.240
2Z7Q Crystal structure of the N-terminal kinase domain of human RSK-1 bound to AMP-PCP Deposited 2007-08-28	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 33–353（321 aa） Fragment：Residues 33-353	Not recorded	MG MAGNESIUM ION × 1 ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；12-16% PEG MME 2000, 150mM DL-malic acid, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.283
2Z7R Crystal Structure of the N-terminal Kinase Domain of Human RSK1 bound to Staurosporine Deposited 2007-08-28	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 33–353（321 aa） Fragment：Residues 33-353	Not recorded	STU STAUROSPORINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；12-16% PEG MME 2000, 150mM DL-malic acid, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.286
2Z7S Crystal Structure of the N-terminal Kinase Domain of Human RSK1 bound to Purvalnol A Deposited 2007-08-28	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 33–353（321 aa） Fragment：Residues 33-353	Not recorded	P01 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；12-16% PEG MME 2000, 150mM DL-malic acid , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.10 Å
3RNY Crystal structure of human RSK1 C-terminal kinase domain Deposited 2011-04-24	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 411–735（325 aa） Fragment：UNP residues 411-735	Not recorded	NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；0.1 M HEPES pH 7.5, 17.1%(w/v) PEG 3350, 4%(v/v) acetonitrile or 18%(w/v) PEG 3350, 100 mM ammonium formate, 4%(v/v) acetonitrile, vapor diffusion, sitting drop, temperature 290K	Resolution 2.70 Å R-free 0.238
3RNY Crystal structure of human RSK1 C-terminal kinase domain Deposited 2011-04-24	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 411–735（325 aa） Fragment：UNP residues 411-735	Not recorded	NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；0.1 M HEPES pH 7.5, 17.1%(w/v) PEG 3350, 4%(v/v) acetonitrile or 18%(w/v) PEG 3350, 100 mM ammonium formate, 4%(v/v) acetonitrile, vapor diffusion, sitting drop, temperature 290K	Resolution 2.70 Å R-free 0.238
3RNY Crystal structure of human RSK1 C-terminal kinase domain Deposited 2011-04-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 411–735（325 aa） Fragment：UNP residues 411-735 Chain B 411–735（325 aa） Fragment：UNP residues 411-735	Not recorded	NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；0.1 M HEPES pH 7.5, 17.1%(w/v) PEG 3350, 4%(v/v) acetonitrile or 18%(w/v) PEG 3350, 100 mM ammonium formate, 4%(v/v) acetonitrile, vapor diffusion, sitting drop, temperature 290K	Resolution 2.70 Å R-free 0.238
3TEI Crystal structure of human ERK2 complexed with a MAPK docking peptide Deposited 2011-08-15	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 B 712–735（24 aa） Fragment：C-TERMINAL DOCKING PEPTIDE, RESIDUES 712-735	Not recorded	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；296 K；27-29% PEG 6000, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K	Resolution 2.40 Å R-free 0.235
4H3P Crystal structure of human ERK2 complexed with a MAPK docking peptide Deposited 2012-09-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 712–735（24 aa） Fragment：C-TERMINAL DOCKING PEPTIDE, UNP residues 712-735	Mutation：S719A, Q724A	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；296 K；25-30% PEG6000, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K	Resolution 2.30 Å R-free 0.224
4H3P Crystal structure of human ERK2 complexed with a MAPK docking peptide Deposited 2012-09-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 712–735（24 aa） Fragment：C-TERMINAL DOCKING PEPTIDE, UNP residues 712-735	Mutation：S719A, Q724A	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；296 K；25-30% PEG6000, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K	Resolution 2.30 Å R-free 0.224
4NIF Heterodimeric structure of ERK2 and RSK1 Deposited 2013-11-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 411–735（325 aa） Fragment：C-terminal kinase domain, UNP residues 411-735 Chain D 411–735（325 aa） Fragment：C-terminal kinase domain, UNP residues 411-735	Not recorded	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 SO4 SULFATE ION × 3 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.25；296 K；0.1M MES, 15% PEG4000, 0.125M (NH4)2SO4, 2% Benzamidine, pH 6.25, VAPOR DIFFUSION, SITTING DROP, temperature 296K	Resolution 2.15 Å R-free 0.208
5CSF S100B-RSK1 crystal structure A Deposited 2015-07-23	Different construct Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 683–735（53 aa） Fragment：UNP residues 683-735	Not recorded	CA CALCIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；0.1 M Hepes 7, 150 mM NaCl, 20% PEG6000	Resolution 2.40 Å R-free 0.291
5CSJ S100B-RSK1 crystal structure B Deposited 2015-07-23	Different construct Different ligand/ion Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 696–735（40 aa） Fragment：UNP residues 696-735	Not recorded	CA CALCIUM ION × 4 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；0.1 M Hepes 7, 150 mM NaCl, 20% PEG6000	Resolution 2.70 Å R-free 0.276
5CSN S100B-RSK1 crystal structure C Deposited 2015-07-23	Different construct Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 683–720（38 aa） Fragment：UNP residues 683-720	Not recorded	CA CALCIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；0.1 M Hepes 7, 150 mM NaCl, 20% PEG6000	Resolution 2.95 Å R-free 0.279
5N7D MAGI-1 complexed with a RSK1 peptide Deposited 2017-02-20	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 697–744（48 aa）	Not recorded	GOL GLYCEROL × 3 CA CALCIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；296 K；8% PEG 400, 100 mM acetate buffer	Resolution 2.30 Å R-free 0.227
5N7F MAGI-1 complexed with a pRSK1 peptide Deposited 2017-02-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 688–735（48 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	GOL GLYCEROL × 3 CA CALCIUM ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；296 K；14% PEG 8000, 200 mM MgCl2, 100 mM TRIS	Resolution 2.30 Å R-free 0.240
5N7G MAGI-1 complexed with a synthetic pRSK1 peptide Deposited 2017-02-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 729–735（7 aa） Fragment：UNP residues 88-94	Non-standard monomer：Yes (specific site not provided by mmCIF)	GOL GLYCEROL × 3 CA CALCIUM ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；296 K；14% PEG 8000, 200 mM MgCl2, 100 mM TRIS	Resolution 2.95 Å R-free 0.264
5V61 Phospho-ERK2 bound to bivalent inhibitor SBP2 Deposited 2017-03-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain I 713–729（17 aa） Fragment：UNP Q15418 residues 713-729, UNP P04608 residues 730-738	Not recorded	GOL GLYCEROL × 3 FRZ 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE × 1 90A 2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.1 M Bis-Tris pH 6.5, 45% v/v polypropylene glycol P400	Resolution 2.20 Å R-free 0.212
5V62 Phospho-ERK2 bound to bivalent inhibitor SBP3 Deposited 2017-03-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain I 713–729（17 aa） Fragment：UNP residues 713-729	Non-standard monomer：Yes (specific site not provided by mmCIF)	GOL GLYCEROL × 5 FRZ 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE × 1 AKS N-(hex-5-yn-1-yl)hexanamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.1 M Tris-Bicine pH 8.5, 0.02 M each of 1,6-Hexanediol, 1-Butanol, 1,2-Propanediol, 2-Propanol, 1,4-Butanediol, 1,3-Propanediol, 20% v/v PEG550MME, 10% w/v PEG20,000	Resolution 1.90 Å R-free 0.203
7P74 The PDZ domain of SYNJ2BP complexed with the phosphorylated PDZ-binding motif of RSK1 Deposited 2021-07-19	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 725–735（11 aa）	Mutation：N-terminal biotin-ttds label Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 4 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100mM ammonium sulfate, 100mM sodium formate, 25% PEG smear broad	Resolution 1.90 Å R-free 0.211
7PC8 The PDZ domain of SNTG1 complexed with the phosphomimetic mutant PDZ-binding motif of RSK1 Deposited 2021-08-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 726–735（10 aa）	Not recorded	CA CALCIUM ION × 5 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.15 M Lithium sulfate, 0.05 M Magnesium chloride hexahydrate ,0.1 M HEPES 7.8, 20 % v/v PEG Smear High	Resolution 2.50 Å R-free 0.232
7PC8 The PDZ domain of SNTG1 complexed with the phosphomimetic mutant PDZ-binding motif of RSK1 Deposited 2021-08-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 726–735（10 aa）	Not recorded	CA CALCIUM ION × 4 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.15 M Lithium sulfate, 0.05 M Magnesium chloride hexahydrate ,0.1 M HEPES 7.8, 20 % v/v PEG Smear High	Resolution 2.50 Å R-free 0.232
7QQL The PDZ domain of SNTG2 complexed with the phosphorylated PDZ-binding motif of RSK1 Deposited 2022-01-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain F 725–735（11 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 5 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M Succinic acid pH 7.0 15% w/v PEG 3350	Resolution 2.44 Å R-free 0.230
7QQL The PDZ domain of SNTG2 complexed with the phosphorylated PDZ-binding motif of RSK1 Deposited 2022-01-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 725–735（11 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 4 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M Succinic acid pH 7.0 15% w/v PEG 3350	Resolution 2.44 Å R-free 0.230
7QQL The PDZ domain of SNTG2 complexed with the phosphorylated PDZ-binding motif of RSK1 Deposited 2022-01-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 725–735（11 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 5 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M Succinic acid pH 7.0 15% w/v PEG 3350	Resolution 2.44 Å R-free 0.230
8WF4 The Crystal Structure of RSK1 from Biortus. Deposited 2023-09-19	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 411–735（325 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Hepes pH7.0, 15% PEG 20000	Resolution 2.65 Å R-free 0.309
8WF4 The Crystal Structure of RSK1 from Biortus. Deposited 2023-09-19	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 411–735（325 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Hepes pH7.0, 15% PEG 20000	Resolution 2.65 Å R-free 0.309
8XOV The Crystal Structure of N-terminal kinase domain of human RSK-1 from Biortus. Deposited 2024-01-02	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 33–353（321 aa）	Not recorded	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M MgAC2, 0.1M Nacacodylate pH6.5, 15% PEG 6000	Resolution 2.55 Å R-free 0.252

21 other PDB entries and 28 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	KS6A1_HUMAN
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain C； PDBConstruct 3–49； UniProt 689–735

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.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	5csi
Deposition date deposition_date	2015-07-23
Structure title title	S100B-RSK1 crystal structure A'
Keywords keywords	Kinase, Signaling, Inhibitor, S100, 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	18.31 Å
Radius of gyration Rg (electron density) rg_electron	17.04 Å
Forward intensity I(0) i0	9280840.00
Molecular weight molecular_weight	21721.0 kDa
Excluded volume excluded_volume	26781 Å³
Envelope volume envelope_volume	31264 Å³
Hydration-shell volume shell_volume	15634 Å³
Envelope diameter envelope_diameter	59.8 Å
Shell Rg shell_rg	22.74 Å
Envelope Rg envelope_rg	17.24 Å
Shape Rg shape_rg	17.05 Å
Total Rg total_rg	17.91 Å
Total atoms total_atoms	1512
Residues n_residues	198
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	59.9 Å
Rg (real space) rg_real	18.23 Å
Rg uncertainty (real space) rg_real_error	0.30 Å
I(0) (real space) i0_real	9.2810e+06
I(0) uncertainty (real space) i0_real_error	9.2460e+04
Rg (reciprocal space) rg_reciprocal	18.25 Å
I(0) (reciprocal space) i0_reciprocal	9281000.0000
Solution quality estimate total_estimate	0.8911
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	21.1 Å
Skewness Skewness skewness	0.200
Kurtosis Kurtosis kurtosis	-0.430
Angular range angular_range	— – 0.4350 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	1039000.0000
Real-space data points n_real_points	75
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.863; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.992

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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	Protein S100-B
Molecular weight formula_weight	11009.3 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	1568

GSHMSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKEQEVVDKVMETLDNDGDGECDFQEFMAFVAMVTTACHEFFEHE

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	Ribosomal protein S6 kinase alpha-1
Molecular weight formula_weight	5260.1 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	C

GSQDLQLVKGAMAATYSALNSSKPTPQLKPIESSILAQRRVRKLPSTTL

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 3 Entity 3 non-polymer

Description description	CALCIUM ION
Molecular weight formula_weight	40.1 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	40

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7. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (4 domains)

Domain ID domain_id	d5csia1
Class class	a — All alpha proteins
Fold Fold fold	a.39 — EF Hand-like
Superfamily Superfamily superfamily	a.39.1 — EF-hand
Family Family family	a.39.1.2 — S100 proteins

Domain ID domain_id	d5csia2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d5csib1
Class class	a — All alpha proteins
Fold Fold fold	a.39 — EF Hand-like
Superfamily Superfamily superfamily	a.39.1 — EF-hand
Family Family family	a.39.1.2 — S100 proteins

Domain ID domain_id	d5csib2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

CATH v4.4 (2 domains)

Domain ID domain_id	5csiA00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	238 — Recoverin; domain 1
Homologous superfamily homologous superfamily	10 — EF-hand

Domain ID domain_id	5csiB00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	238 — Recoverin; domain 1
Homologous superfamily homologous superfamily	10 — EF-hand

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8. Citations (1)

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Unit-cell length a length_a	38.310 Å
Unit-cell length b length_b	38.570 Å
Unit-cell length c length_c	173.410 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 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	2.130 Å
Low-resolution limit resolution_low	37.650 Å
R factor r_factor	0.2069
R_work r_work	0.2048
R_free r_free	0.2500

fit	/app/data/saxs_computation/cs/5csi/5csi.fit
pddf	/app/data/pr_computation/cs/5csi/5csi.pr.out
profile	/app/data/saxs_computation/cs/5csi/5csi.dat

S100B-RSK1 crystal structure A'

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

Protein S100-B

State in the Current Structure

Other States of the Same Protein in the Database

Ribosomal protein S6 kinase alpha-1

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

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

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

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 water

7. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (4 domains)

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)