3M0W: S100A4 with PCP

Structure of S100A4 with PCP. Determined by X-ray diffraction at 2.8 Å resolution. Released 12 May 2010.

Method: X-ray diffraction
Resolution: 2.8 Å
Organism: Homo sapiens
Chains: 10
Atoms: 7,351
Mol. weight: 121.61 kDa
Ligands: DIO, CA, P77
Released: 12 May 2010

Explore 3M0W in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3M0W contains 44 α-helices and 20 β-strands across 10 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, E and H: 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	72-90	19

Chains B and F: 4 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	4-20	17
β-strand	28-29	2	2
α-helix	31-41	11
α-helix	52-62	11
β-strand	70-71	2	2
α-helix	72-90	19

Chain C: 4 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	4-20	17
β-strand	28-29	2	3
α-helix	31-41	11
α-helix	52-62	11
β-strand	70-71	2	3
α-helix	72-91	20

Chains D and G: 4 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	4-20	17
β-strand	28-29	2	4
α-helix	31-41	11
α-helix	53-62	10
β-strand	70-71	2	4
α-helix	72-90	19

Chain I: 5 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	4-20	17
β-strand	29	1	9
α-helix	31-41	11
α-helix	43-46	4
α-helix	52-62	11
β-strand	70	1	9
α-helix	72-90	19

Chain J: 4 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	4-20	17
β-strand	29	1	10
α-helix	31-41	11
α-helix	52-62	11
β-strand	70	1	10
α-helix	72-90	19

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Protein S100-A4	A, B, C, D, E, F, G, H, I, J	protein	100	Homo sapiens	P26447 (AlphaFold model)

Sequence of entity 1 (A, B, C, D, E, F, G, H, I, J), FASTA

>3M0W_1 Protein S100-A4 (chains A, B, C, D, E, F, G, H, I, J)
ACPLEKALDVMVSTFHKYSGKEGDKFKLNKSELKELLTRELPSFLGKRTDEAAFQKLMSN
LDSNRDNEVDFQEYCVFLSCIAMMCNEFFEGFPDKQPRKK

Ligands and cofactors

ID	Name	Formula	Copies
DIO	1,4-diethylene dioxide	C4 H8 O2	2
CA	Calcium ion	Ca	20
P77	2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine	C20 H24 Cl N3 S	12

Primary citation

Phenothiazines inhibit S100A4 function by inducing protein oligomerization. Malashkevich, V.N., Dulyaninova, N.G., Ramagopal, U.A. et al. Proc Natl Acad Sci U S A (2010) 107:8605-8610. DOI 10.1073/pnas.0913660107 · 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.
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

Browse structure collections

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