3C1V: The 1.5 A Crystal structure of Ca2+-bound S100A4

The 1.5 A Crystal structure of Ca2+-bound S100A4. Determined by X-ray diffraction at 1.5 Å resolution. Released 1 Apr 2008.

Method: X-ray diffraction
Resolution: 1.5 Å
Organism: Homo sapiens
Chains: 4
Atoms: 3,814
Mol. weight: 52.92 kDa
Ligands: CA
Released: 1 Apr 2008

Explore 3C1V in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3C1V contains 20 α-helices and 8 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, B, C and D: 5 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	4-20	17
β-strand	28-29	2	1
α-helix	31-41	11
α-helix	43-46	4
α-helix	52-62	11
β-strand	70-71	2	1
α-helix	72-88	17

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Protein S100-A4	A, B, C, D	protein	113	Homo sapiens	P26447 (AlphaFold model)

Sequence of entity 1 (A, B, C, D), FASTA

>3C1V_1 Protein S100-A4 (chains A, B, C, D)
MRGSHHHHHHGSMACPLEKALDVMVSTFHKYSGKEGDKFKLNKSELKELLTRELPSFLGK
RTDEAAFQKLMSNLDSNRDNEVDFQEYCVFLSCIAMMCNEFFEGFPDKQPRKK

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	8

Primary citation

Crystal structure of the Ca(2+)-form and Ca(2+)-binding kinetics of metastasis-associated protein, S100A4. Gingras, A.R., Basran, J., Prescott, A. et al. FEBS Lett (2008) 582:1651-1656. DOI 10.1016/j.febslet.2008.04.017 · 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
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.
3ZWH 1.94 Å, Ca2+-bound S100A4 C3S, C81S, C86S and F45W mutant complexed with myosin IIA
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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