3ZWH: Protein S100-A4

Ca2+-bound S100A4 C3S, C81S, C86S and F45W mutant complexed with myosin IIA. Determined by X-ray diffraction at 1.94 Å resolution. Released 4 Apr 2012.

Method: X-ray diffraction
Resolution: 1.94 Å
Organism: HOMO SAPIENS
Chains: 3
Atoms: 2,134
Mol. weight: 29.76 kDa
Ligands: AZI, CA
Released: 4 Apr 2012

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

Secondary structure: helices and β-sheets

3ZWH contains 12 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: 5 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	4-20	17
β-strand	29	1	1
α-helix	31-41	11
α-helix	43-45	3
α-helix	52-62	11
β-strand	70	1	1
α-helix	72-92	21

Chain B: 5 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	4-20	17
β-strand	29	1	2
α-helix	31-41	11
α-helix	43-45	3
β-strand	46	1	3
α-helix	52-62	11
β-strand	70	1	2
α-helix	72-91	20

Chain Q: 2 helices, 1 β-strand

Element	Residues	Length	Sheet
α-helix	1899-1903	5
α-helix	1907-1922	16
β-strand	1929	1	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Protein S100-A4	A, B	protein	104	HOMO SAPIENS	P26447 (AlphaFold model)
Myosin-9	Q	protein	45	HOMO SAPIENS	P35579 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>3ZWH_1 PROTEIN S100-A4 (chains A, B)
GSHMASPLEKALDVMVSTFHKYSGKEGDKFKLNKSELKELLTRELPSWLGKRTDEAAFQK
LMSNLDSNRDNEVDFQEYCVFLSSIAMMSNEFFEGFPDKQPRKK

Sequence of entity 2 (Q), FASTA

>3ZWH_2 MYOSIN-9 (chains Q)
YRKLQRELEDATETADAMNREVSSLKNKLRRGDLPFVVPRRMARK

Ligands and cofactors

ID	Name	Formula	Copies
AZI	Azide ion	N3	2
CA	Calcium ion	Ca	4

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

Primary citation

Crystal Structure of the S100A4-Nonmuscle Myosin Iia Tail Fragment Complex Reveals an Asymmetric Target Binding Mechanism. Kiss, B., Duelli, A., Radnai, L. et al. Proc Natl Acad Sci U S A (2012) 109:6048. DOI 10.1073/PNAS.1114732109 · PubMed

Other PDB entries of the same protein (UniProt P26447 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4CFQ 1.37 Å, Ca-bound truncated (delta13C) and C3S, C81S and C86S mutated S100A4 complexed with…
4CFR 1.4 Å, Ca-bound S100A4 C3S, C81S, C86S and F45W mutant complexed with non- muscle myosin IIA
3C1V 1.5 Å, The 1.5 A Crystal structure of Ca2+-bound S100A4
4ETO 1.54 Å, Structure of S100A4 in complex with non-muscle myosin-IIA peptide
2Q91 1.63 Å, Structure of the Ca2+-Bound Activated Form of the S100A4 Metastasis Factor
27UH 1.82 Å, Crystal structure of a de novo-designed VHH targeting S100A4
7PSQ 1.91 Å, Crystal structure of S100A4 labeled with NU074381b.
3CGA 2.03 Å, Crystal structure of metastasis-associated protein S100A4 in the active, calcium-bound…
5LPU 2.1 Å, Crystal structure of Annexin A2 complexed with S100A4
4HSZ 2.25 Å, Structure of truncated (delta8C) S100A4
3KO0 2.3 Å, Structure of the tfp-ca2+-bound activated form of the s100a4 Metastasis factor
7PSP 2.61 Å, Crystal structure of S100A4 labeled with NU000846b.

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