Structure of PDB 5snx Chain A Binding Site BS01

Receptor Information
>5snx 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 IDWN4
InChIInChI=1S/C11H15N3O/c1-8-4-2-6-10(13-8)14-11(15)9-5-3-7-12-9/h2,4,6,9,12H,3,5,7H2,1H3,(H,13,14,15)/t9-/m0/s1
InChIKeyQILVMVSMHKJUDZ-VIFPVBQESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cccc(n1)NC(=O)C2CCCN2
OpenEye OEToolkits 2.0.7Cc1cccc(n1)NC(=O)[C@@H]2CCCN2
CACTVS 3.385Cc1cccc(NC(=O)[C@@H]2CCCN2)n1
ACDLabs 12.01C1(CCCN1)C(=O)Nc2cccc(C)n2
CACTVS 3.385Cc1cccc(NC(=O)[CH]2CCCN2)n1
FormulaC11 H15 N3 O
NameN-(6-methylpyridin-2-yl)-L-prolinamide
ChEMBLCHEMBL4538997
DrugBank
ZINCZINC000011805370
PDB chain5snx Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5snx PanDDA analysis group deposition
Resolution1.99 Å
Binding residue
(original residue number in PDB)		R120 E124
Binding residue
(residue number reindexed from 1)		R119 E123
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

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5snx, PDBe:5snx, PDBj:5snx
PDBsum5snx
PubMed
UniProtG3XDA2

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