Structure of PDB 5so1 Chain A Binding Site BS02

Receptor Information
>5so1 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 IDGX4
InChIInChI=1S/C14H17FN2O/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(18)11-1-2-11/h3-6,11H,1-2,7-10H2
InChIKeyFYCKRJKFEXRNGG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1N2CCN(CC2)C(=O)C3CC3)F
CACTVS 3.385Fc1ccc(cc1)N2CCN(CC2)C(=O)C3CC3
FormulaC14 H17 F N2 O
Namecyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
ChEMBLCHEMBL1468135
DrugBank
ZINCZINC000000218564
PDB chain5so1 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5so1 PanDDA analysis group deposition
Resolution2.07 Å
Binding residue
(original residue number in PDB)		A206 A208 T271 F400
Binding residue
(residue number reindexed from 1)		A205 A207 T270 F399
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:5so1, PDBe:5so1, PDBj:5so1
PDBsum5so1
PubMed
UniProtG3XDA2

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