Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T87206 Target Info
Target Name S100 calcium-binding protein B (S100B)
Synonyms S-100 protein subunit beta; S-100 protein beta chain; Protein S100-B
Target Type Clinical trial Target
Gene Name S100B
Biochemical Class S100 calcium-binding protein
UniProt ID
S100B_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: (3r)-3-[3-(4-Chlorophenyl)-1,2,4-Oxadiazol-5-Yl]piperidine Ligand Info
Structure Description Crystal structure of human S100B in complex with S45 PDB:3HCM
Method X-ray diffraction Resolution 2.00 Å Mutation No [1]
PDB Sequence
MSELEKAMVA
9
LIDVFHQYSG
19
REGDKHKLKK
29
SELKELINNE
39
LSHFLEEIKE
49

QEVVDKVMET
59
LDNDGDGECD
69
FQEFMAFVAM
79
VTTACHEFFE
89
Residue
Distance (Å)
LEU44
3.438
THR59
4.444
LEU60
3.664
ALA75
4.059
Residue
Distance (Å)
PHE76
3.574
MET79
2.934
VAL80
3.733
ALA83
3.799
References  Top
REF 1 Fragmenting the S100B-p53 interaction: combined virtual/biophysical screening approaches to identify ligands. ChemMedChem. 2010 Mar 1;5(3):428-35.

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