Structure of PDB 5snb Chain A Binding Site BS01

Receptor Information
>5snb 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 IDLWA
InChIInChI=1S/C12H14N2O3/c13-11(15)8-3-5-9(6-4-8)14-12(16)10-2-1-7-17-10/h3-6,10H,1-2,7H2,(H2,13,15)(H,14,16)/t10-/m0/s1
InChIKeyFSZYBIFIACXSAG-JTQLQIEISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=O)N)NC(=O)C2CCCO2
CACTVS 3.385NC(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=O)N)NC(=O)[C@@H]2CCCO2
CACTVS 3.385NC(=O)c1ccc(NC(=O)[CH]2CCCO2)cc1
FormulaC12 H14 N2 O3
Name(2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide
ChEMBL
DrugBank
ZINCZINC000000804618
PDB chain5snb 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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PDB5snb PanDDA analysis group deposition
Resolution1.67 Å
Binding residue
(original residue number in PDB)		E61 Y62 F83 Q84 R87
Binding residue
(residue number reindexed from 1)		E60 Y61 F82 Q83 R86
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:5snb, PDBe:5snb, PDBj:5snb
PDBsum5snb
PubMed
UniProtG3XDA2

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