Structure of PDB 7oc0 Chain A Binding Site BS01

Receptor Information
>7oc0 Chain A (length=412) Species: 208964 (Pseudomonas aeruginosa PAO1) [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 IDV7W
InChIInChI=1S/C8H9NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-3,5,7,9H,4H2,(H,10,11)/t5-,7-/m0/s1
InChIKeyZUDFHYZUQCNUJF-FSPLSTOPSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)[CH]1CS[CH](N1)c2sccc2
CACTVS 3.385OC(=O)[C@@H]1CS[C@H](N1)c2sccc2
OpenEye OEToolkits 2.0.7c1cc(sc1)C2NC(CS2)C(=O)O
OpenEye OEToolkits 2.0.7c1cc(sc1)[C@H]2N[C@@H](CS2)C(=O)O
FormulaC8 H9 N O2 S2
Name(2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000000054092
PDB chain7oc0 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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PDB7oc0 An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		Q164 T271 A272 P273 H304 T306 H341 F398 G399
Binding residue
(residue number reindexed from 1)		Q163 T270 A271 P272 H303 T305 H340 F397 G398
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:7oc0, PDBe:7oc0, PDBj:7oc0
PDBsum7oc0
PubMed34189850
UniProtG3XDA2

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