Structure of PDB 5sn7 Chain A Binding Site BS02

Receptor Information
>5sn7 Chain A (length=412) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRRRVVITGMGMLSPLGLDVPSSWEGILAGRSGIAPIEHMDLSAYSTRFG
GSVKGFNVEEYLSAKEARKLDLFIQYGLAASFQAVRDSGLEVTDANRERI
GVSMGSGIGGLTNIENNCRSLFEQGPRRISPFFVPGSIINMVSGFLSIHL
GLQGPNYALTTAQTTGTHSIGMAARNIAYGEADVMVAGGSEMAACGLGLG
GFGAARALSTRNDEPTRASRPWDRDRDGFVLSDGSGALVLEELEHARARG
ARIYAELVGFGMSGDAFHMTAPPEDGAGAARCMKNALRDAGLDPRQVDYI
NAHGTSTPAGDIAEIAAVKSVFGEHAHALSMSSTKSMTGHLLGAAGAVEA
IFSVLALRDQVAPPTINLDNPDEGCDLDLVAHEAKPRKIDVALSNSFGFG
GTNGTLVFRRFA
Ligand information
Ligand IDJMM
InChIInChI=1S/C13H16N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h1-2,9-10H,3-8H2
InChIKeySMBREKYBPARCFW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C(C1CC1)N2CCN(CC2)C(=O)c3occc3
ACDLabs 12.01C3N(C(=O)C1CC1)CCN(C(c2ccco2)=O)C3
OpenEye OEToolkits 2.0.6c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3
FormulaC13 H16 N2 O3
Name[4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone
ChEMBLCHEMBL1330545
DrugBank
ZINCZINC000000970783
PDB chain5sn7 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5sn7 PanDDA analysis group deposition
Resolution1.52 Å
Binding residue
(original residue number in PDB)		I109 I115 F134 S138
Binding residue
(residue number reindexed from 1)		I108 I114 F133 S137
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.179: beta-ketoacyl-[acyl-carrier-protein] synthase II.
Gene Ontology
Molecular Function
GO:0004315 3-oxoacyl-[acyl-carrier-protein] synthase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0046872 metal ion binding
Biological Process
GO:0006633 fatty acid biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5sn7, PDBe:5sn7, PDBj:5sn7
PDBsum5sn7
PubMed
UniProtG3XDA2

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