Structure of PDB 1mux Chain A Binding Site BS06

Receptor Information
>1mux Chain A (length=148) Species: 8355 (Xenopus laevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQD
MINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYI
SAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK
Ligand information
Ligand IDWW7
InChIInChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
InChIKeyIDEHCMNLNCJQST-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN
ACDLabs 10.04O=S(=O)(c1cccc2c1cccc2Cl)NCCCCCCN
CACTVS 3.341NCCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12
FormulaC16 H21 Cl N2 O2 S
NameN-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE
ChEMBLCHEMBL41631
DrugBankDB04513
ZINCZINC000001649496
PDB chain1mux Chain A Residue 154 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1mux Solution structure of calmodulin-W-7 complex: the basis of diversity in molecular recognition.
ResolutionN/A
Binding residue
(original residue number in PDB)		E84 E87 F92 L105 F141 M144 M145
Binding residue
(residue number reindexed from 1)		E84 E87 F92 L105 F141 M144 M145
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) V35
Catalytic site (residue number reindexed from 1) V35
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005102 signaling receptor binding
GO:0005509 calcium ion binding
GO:0030234 enzyme regulator activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:1mux, PDBe:1mux, PDBj:1mux
PDBsum1mux
PubMed9514729
UniProtP0DP33|CALM1_XENLA Calmodulin-1 (Gene Name=calm1)

[Back to BioLiP]