1MWN: S100B

Solution NMR structure of S100B bound to the high-affinity target peptide TRTK-12. Determined by solution NMR. Released 18 Dec 2002.

Method: Solution NMR
Organism: Rattus norvegicus
Chains: 4
Atoms: 1,698
Mol. weight: 24.63 kDa
Ligands: CA
Released: 18 Dec 2002

Explore 1MWN in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1MWN contains 10 α-helices and 4 β-strands across 4 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: 4 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	2-18	17
β-strand	27-28	2	1
α-helix	29-39	11
α-helix	50-60	11
β-strand	67-68	2	1
α-helix	70-87	18

Chains X and Y: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	7-11	5

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
S-100 protein, beta chain	A, B	protein	92	Rattus norvegicus	P04631 (AlphaFold model)
F-actin capping protein alpha-1 subunit	X, Y	protein	12		P52907 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>1MWN_1 S-100 protein, beta chain (chains A, B)
MSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKEQEVVDKVMET
LDEDGDGECDFQEFMAFVSMVTTACHEFFEHE

Sequence of entity 2 (X, Y), FASTA

>1MWN_2 F-actin capping protein alpha-1 subunit (chains X, Y)
TRTKIDWNKILS

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	4

Primary citation

Solution NMR structure of S100B bound to the high-affinity target peptide TRTK-12. Inman, K.G., Yang, R., Rustandi, R.R. et al. J Mol Biol (2002) 324:1003-1014. DOI 10.1016/S0022-2836(02)01152-X · PubMed

Other PDB entries of the same protein (UniProt P04631 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1B4C Solution structure of rat apo-S100B using dipolar couplings
1DT7 Solution structure of the C-terminal negative regulatory domain of P53 in a complex with…
1QLK Solution structure of CA(2+)-loaded rat S100B (betabeta) NMR, 20 structures
1SYM 3-D solution structure of reduced apo-S100B from rat, NMR, 20 structures
1XYD NMR Solution Structure of Rat Zinc-Calcium-S100B, 20 Structures
2K7O Ca2+-S100B, refined with RDCs

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