Structure of PDB 5snx Chain B Binding Site BS01

Receptor Information
>5snx Chain B (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 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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PDB5snx PanDDA analysis group deposition
Resolution1.99 Å
Binding residue
(original residue number in PDB)		R212 E215 R218 R221 D370
Binding residue
(residue number reindexed from 1)		R211 E214 R217 R220 D369
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:5snx, PDBe:5snx, PDBj:5snx
PDBsum5snx
PubMed
UniProtG3XDA2

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