5CSF: S100B-RSK1 crystal structure A

S100B-RSK1 crystal structure A. Determined by X-ray diffraction at 2.4 Å resolution. Released 11 Nov 2015.

Method: X-ray diffraction
Resolution: 2.4 Å
Organism: Homo sapiens
Chains: 3
Atoms: 1,512
Mol. weight: 28.12 kDa
Ligands: CA
Released: 11 Nov 2015

Explore 5CSF in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5CSF contains 11 α-helices and 6 β-strands across 3 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 6 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	0-1	2
α-helix	2-18	17
β-strand	26-27	2	1
α-helix	29-39	11
α-helix	45-47	3
α-helix	50-60	11
β-strand	68-69	2	1
α-helix	70-85	16

Chain B: 5 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	2-18	17
β-strand	27	1	2
α-helix	29-39	11
β-strand	44	1	3
α-helix	45-47	3
α-helix	50-60	11
β-strand	68	1	2
α-helix	70-85	16

Chain C: 0 helices, 1 β-strand

Element	Residues	Length	Sheet
β-strand	699	1	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Protein S100-B	A, B	protein	95	Homo sapiens	P04271 (AlphaFold model)
Ribosomal protein S6 kinase alpha-1	C	protein	55	Homo sapiens	Q15418 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>5CSF_1 Protein S100-B (chains A, B)
GSHMSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKEQEVVDKV
METLDNDGDGECDFQEFMAFVAMVTTACHEFFEHE

Sequence of entity 2 (C), FASTA

>5CSF_2 Ribosomal protein S6 kinase alpha-1 (chains C)
GSQSQLSHQDLQLVKGAMAATYSALNSSKPTPQLKPIESSILAQRRVRKLPSTTL

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	4

Primary citation

Structural Basis of Ribosomal S6 Kinase 1 (RSK1) Inhibition by S100B Protein: MODULATION OF THE EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) SIGNALING CASCADE IN A CALCIUM-DEPENDENT WAY. Gogl, G., Alexa, A., Kiss, B. et al. J Biol Chem (2016) 291:11-27. DOI 10.1074/jbc.M115.684928 · PubMed

Other PDB entries of the same protein (UniProt P04271 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5D7F 1.3 Å, X-ray structure of Ca(2+)-S100B with human RAGE-derived W72 peptide
3CZT 1.4 Å, Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 9
3D0Y 1.5 Å, Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 6.5
3D10 1.65 Å, Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 10.0
2H61 1.9 Å, X-ray structure of human Ca2+-loaded S100B
3HCM 2.0 Å, Crystal structure of human S100B in complex with S45
5CSI 2.13 Å, S100B-RSK1 crystal structure A'
4XYN 2.55 Å, X-ray structure of Ca(2+)-S100B with human RAGE-derived W61 peptide
5CSJ 2.7 Å, S100B-RSK1 crystal structure B
5CSN 2.95 Å, S100B-RSK1 crystal structure C
1MQ1 Ca2+-S100B-TRTK-12 complex
1UWO Calcium form of human S100B, NMR, 20 structures

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