Structure of PDB 1s1j Chain A Binding Site BS01

Receptor Information
>1s1j Chain A (length=136) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEAVIIMNVAAHHGSELNGELLLNSIQQAGFIFGDMNIYHRHLSPDGSGP
ALFSLANMVKPGTFDPEMKDFTTPGVTIFMQVPSYGDELQLFKLMLQSAQ
HIADEVGGVVLDDQRRMMTPQKLREYQDIIREVKDA
Ligand information
Ligand IDIQZ
InChIInChI=1S/C15H16N2O/c18-13-9-17-8-4-3-7-12(17)15-14(13)10-5-1-2-6-11(10)16-15/h1-2,5-6,12,16H,3-4,7-9H2/t12-/m0/s1
InChIKeyPGKUSHWBQJPFOP-LBPRGKRZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1c1ccc2c(c1)c3c([nH]2)C4CCCCN4CC3=O
OpenEye OEToolkits 1.6.1c1ccc2c(c1)c3c([nH]2)[C@@H]4CCCC[N@]4CC3=O
CACTVS 3.352O=C1CN2CCCC[CH]2c3[nH]c4ccccc4c13
CACTVS 3.352O=C1CN2CCCC[C@H]2c3[nH]c4ccccc4c13
FormulaC15 H16 N2 O
Name(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-a]quinolizin-7(6H)-one
ChEMBL
DrugBankDB02191
ZINC
PDB chain1s1j Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1s1j Design and synthesis of indolo[2,3-a]quinolizin-7-one inhibitors of the ZipA-FtsZ interaction
Resolution2.18 Å
Binding residue
(original residue number in PDB)		I44 G68 F85
Binding residue
(residue number reindexed from 1)		I38 G62 F79
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0090529 cell septum assembly
Cellular Component
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:1s1j, PDBe:1s1j, PDBj:1s1j
PDBsum1s1j
PubMed15006376
UniProtP77173|ZIPA_ECOLI Cell division protein ZipA (Gene Name=zipA)

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