3D10: Protein S100-B

Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 10.0. Determined by X-ray diffraction at 1.65 Å resolution. Released 14 Apr 2009.

Method: X-ray diffraction
Resolution: 1.65 Å
Organism: Homo sapiens
Chains: 2
Atoms: 1,667
Mol. weight: 21.9 kDa
Ligands: ZN, CA
Released: 14 Apr 2009

Explore 3D10 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3D10 contains 10 α-helices and 4 β-strands across 2 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.

Chains A and B: 5 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	2-18	17
β-strand	27	1	1
α-helix	29-39	11
α-helix	45-47	3
α-helix	50-60	11
β-strand	68	1	1
α-helix	70-87	18

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Protein S100-B	A, B	protein	92	Homo sapiens	P04271 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>3D10_1 Protein S100-B (chains A, B)
MSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKEQEVVDKVMET
LDNDGDGECDFQEFMAFVAMVTTACHEFFEHE

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	2
CA	Calcium ion	Ca	4

Water and common crystallization additives (PGE) are not listed.

Primary citation

The crystal structures of human S100B in the zinc- and calcium-loaded state at three pH values reveal zinc ligand swapping. Ostendorp, T., Diez, J., Heizmann, C.W. et al. Biochim Biophys Acta (2011) 1813:1083-1091. DOI 10.1016/j.bbamcr.2010.10.006 · 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
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'
5CSF 2.4 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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