Structure of PDB 5so4 Chain A Binding Site BS02

Receptor Information
>5so4 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 IDQ4K
InChIInChI=1S/C10H11BrFNO3/c1-2-16-10(15)8(12)9(14)7-4-3-6(11)5-13-7/h3-5,8-9,14H,2H2,1H3/t8-,9+/m0/s1
InChIKeyJAJULJUIZXJSOC-DTWKUNHWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOC(=O)[C@H]([C@@H](c1ccc(cn1)Br)O)F
OpenEye OEToolkits 2.0.7CCOC(=O)C(C(c1ccc(cn1)Br)O)F
CACTVS 3.385CCOC(=O)[CH](F)[CH](O)c1ccc(Br)cn1
CACTVS 3.385CCOC(=O)[C@@H](F)[C@H](O)c1ccc(Br)cn1
FormulaC10 H11 Br F N O3
Nameethyl (2~{S},3~{R})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate
ChEMBL
DrugBank
ZINC
PDB chain5so4 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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PDB5so4 PanDDA analysis group deposition
Resolution1.59 Å
Binding residue
(original residue number in PDB)		R212 R221 D226 D370
Binding residue
(residue number reindexed from 1)		R211 R220 D225 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

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5so4, PDBe:5so4, PDBj:5so4
PDBsum5so4
PubMed
UniProtG3XDA2

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