2H61: Human Ca2+-loaded S100B

X-ray structure of human Ca2+-loaded S100B. Determined by X-ray diffraction at 1.9 Å resolution. Released 5 Jun 2007.

Method: X-ray diffraction
Resolution: 1.9 Å
Organism: Homo sapiens
Chains: 8
Atoms: 6,570
Mol. weight: 86.82 kDa
Ligands: CA
Released: 5 Jun 2007

Explore 2H61 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2H61 contains 39 α-helices and 16 β-strands across 8 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, B, D and G: 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

Chain C: 5 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	2-18	17
β-strand	27	1	3
α-helix	29-39	11
α-helix	50-60	11
β-strand	68	1	3
α-helix	70-85	16
α-helix	86-88	3

Chain E: 4 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	2-18	17
β-strand	27	1	5
α-helix	29-39	11
α-helix	51-60	10
β-strand	68	1	5
α-helix	70-88	19

Chain F: 4 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	2-18	17
β-strand	27	1	6
α-helix	29-39	11
α-helix	50-60	11
β-strand	68	1	6
α-helix	70-88	19

Chain H: 6 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	2-18	17
β-strand	27	1	8
α-helix	29-39	11
α-helix	45-47	3
α-helix	50-60	11
β-strand	68	1	8
α-helix	70-85	16
α-helix	86-88	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Protein S100-B	A, B, E, F, H	protein	92	Homo sapiens	P04271 (AlphaFold model)
Protein S100-B	C, D, G	protein	92	Homo sapiens	P04271 (AlphaFold model)

Sequence of entity 1 (A, B, E, F, H), FASTA

>2H61_1 Protein S100-B (chains A, B, E, F, H)
MSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKEQEVVDKVMET
LDNDGDGECDFQEFMAFVAMVTTACHEFFEHE

Sequence of entity 2 (C, D, G), FASTA

>2H61_2 Protein S100-B (chains C, D, G)
MSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKEQEVVDKVMET
LDNDGDGECDFQEFMAFVAMVTTACHEFFEHE

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	18

Water and common crystallization additives (PG4) are not listed.

Primary citation

Structural and functional insights into RAGE activation by multimeric S100B. Ostendorp, T., Leclerc, E., Galichet, A. et al. EMBO J (2007) 26:3868-3878. DOI 10.1038/sj.emboj.7601805 · 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
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

Browse structure collections

About this viewer

MolViewer shows 2H61 directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.