Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T35265 Target Info
Target Name S100 calcium-binding protein A4 (S100A4)
Synonyms Protein S100-A4; Protein Mts1; Placental calcium-binding protein; Metastasin; MTS1; Calvasculin; CAPL
Target Type Literature-reported Target
Gene Name S100A4
Biochemical Class S100 calcium-binding protein
UniProt ID
S10A4_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Trifluoperazine Ligand Info
Structure Description Structure of the tfp-ca2+-bound activated form of the s100a4 Metastasis factor PDB:3KO0
Method X-ray diffraction Resolution 2.30 Å Mutation No [1]
PDB Sequence
ACPLEKALDV
11
MVSTFHKYSG
21
KEGDKFKLNK
31
SELKELLTRE
41
LPSFLGKRTD
51

EAAFQKLMSN
61
LDSNRDNEVD
71
FQEYCVFLSC
81
IAMMCNEFFE
91
GFP
Residue
Distance (Å)
LEU42
3.544
SER44
3.297
PHE45
2.909
LEU46
3.427
GLY47
3.492
CYS81
4.092
Residue
Distance (Å)
ILE82
3.587
MET85
3.308
CYS86
3.617
PHE89
3.722
PHE90
4.181
PHE93
3.353
Ligand Name: Prochlorperazine Ligand Info
Structure Description Structure of S100A4 with PCP PDB:3M0W
Method X-ray diffraction Resolution 2.80 Å Mutation No [2]
PDB Sequence
ACPLEKALDV
11
MVSTFHKYSG
21
KEGDKFKLNK
31
SELKELLTRE
41
LPSFLGKRTD
51

EAAFQKLMSN
61
LDSNRDNEVD
71
FQEYCVFLSC
81
IAMMCNEFFE
91
Residue
Distance (Å)
ASP10
2.678
Residue
Distance (Å)
SER14
3.835
Ligand Name: (2R,4R)-1-(2-chloroacetyl)-N-(3-chlorophenyl)-4-phenylpyrrolidine-2-carboxamide Ligand Info
Structure Description Crystal structure of S100A4 labeled with NU000846b. PDB:7PSP
Method X-ray diffraction Resolution 2.61 Å Mutation No [3]
PDB Sequence
SMACPLEKAL
9
DVMVSTFHKY
19
SGKEGDKFKL
29
NKSELKELLT
39
RELPSFLGKR
49

TDEAAFQKLM
59
SNLDSNRDNE
69
VDFQEYCVFL
79
SCIAMMCNEF
89
FEGFPDK
Click to Show 3D Structure of This Binding Site
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Residue
Distance (Å)
VAL77
4.766
CYS81
1.766
Residue
Distance (Å)
MET85
3.169
PHE89
4.741
References  Top
REF 1 Phenothiazines inhibit S100A4 function by inducing protein oligomerization. Proc Natl Acad Sci U S A. 2010 May 11;107(19):8605-10.
REF 2 Structure of S100A4 with PCP
REF 3 Crystal structure of S100A4 labeled with NU000846b.

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