Structure of PDB 8pfz Chain A Binding Site BS01

Receptor Information
>8pfz Chain A (length=410) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRRVVITGMGMLSPLGLDVPSSWEGILAGRSGIAPIEHMDLSAYSTRFGG
SVKGFNVEEYLSAKEARKLDLFIQYGLAASFQAVRDSGLEVTDANRERIG
VSMGSGIGGLTNIENNCRSLFEQGPRRISPFFVPGSIINMVSGFLSIHLG
LQGPNYALTTAATTGTHSIGMAARNIAYGEADVMVAGGSEMAACGLGLGG
FGAARALSTRNDEPTRASRPWDRDRDGFVLSDGSGALVLEELEHARARGA
RIYAELVGFGMSGDAFHMTAPPEDGAGAARCMKNALRDAGLDPRQVDYIN
AHGTSTPAGDIAEIAAVKSVFGEHAHALSMSSTKSMTGHLLGAAGAVEAI
FSVLALRDQVAPPTINLDNPDEGCDLDLVAHEAKPRKIDVALSNSFGFGG
TNGTLVFRRF
Ligand information
Ligand IDYQI
InChIInChI=1S/C8H11N3O3/c1-2-5(8(13)14)10-7(12)6-3-4-9-11-6/h3-5H,2H2,1H3,(H,9,11)(H,10,12)(H,13,14)/t5-/m0/s1
InChIKeyASNWLZWZIDHNOQ-YFKPBYRVSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC[CH](NC(=O)c1cc[nH]n1)C(O)=O
OpenEye OEToolkits 2.0.7CC[C@@H](C(=O)O)NC(=O)c1cc[nH]n1
OpenEye OEToolkits 2.0.7CCC(C(=O)O)NC(=O)c1cc[nH]n1
CACTVS 3.385CC[C@H](NC(=O)c1cc[nH]n1)C(O)=O
FormulaC8 H11 N3 O3
Name(2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid
ChEMBL
DrugBank
ZINC
PDB chain8pfz Chain A Residue 512 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8pfz New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Resolution1.78 Å
Binding residue
(original residue number in PDB)		P273 G311 A314 F398 G399
Binding residue
(residue number reindexed from 1)		P271 G309 A312 F396 G397
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:8pfz, PDBe:8pfz, PDBj:8pfz
PDBsum8pfz
PubMed
UniProtG3XDA2

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